Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL921576 | 0.87 | L3MBTL1 (0.54) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL30485981 | 0.81 | RAB9A (0.68) | GRM5MEN1KMT2ARAB9APOLB | |
| SCHEMBL126159 | 0.81 | RAB9A (0.68) | GRM5MEN1KMT2ARAB9APOLB | |
| SCHEMBL19718960 | 0.81 | ADORA1 (0.48) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL13489802 | 0.81 | ADORA1 (0.48) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL5630272 | 0.80 | KDM4E (0.61) | FFAR2ADORA1CYP1A2CYP2C9GRM5 | |
| SCHEMBL3211414 | 0.79 | XIAP (0.59) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL31038670 | 0.79 | ALDH1A1 (0.54) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL29581363 | 0.79 | GRM5 (0.51) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL968790 | 0.79 | GRM5 (0.51) | ADORA1CYP1A2CYP2C9CYP3A4CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015047124-A1 | NOVEL CHEMICAL COMPOUNDS DERIVED FROM 2,4-DIAMINO-1,3,5-TRIAZINE FOR THE PROPHYLAXIS AND TREATMENT OF HUMAN AND ANIMAL DISEASES | Общество с ограниченной ответственностью "Молекулярные Технологии" | 2015-04-02 | — | — | WO | disclosed |
| EP-2013213-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| EP-2013213-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| US-7470679-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470679-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470679-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-20 | — | — | US | disclosed |
| US-20060094707-A1 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2006-05-04 | — | — | US | disclosed |
| US-6979690-B2 | Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators | PFIZER INC. (US) | 2005-12-27 | — | — | US | disclosed |
| US-20030207875-A1 | Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators | PFIZER INC | 2003-11-06 | — | — | US | disclosed |
| WO-2003057688-A2 | OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS | PFIZER JAPAN INC. (JP) | 2003-07-17 | — | — | WO | disclosed |
| EP-1325921-A2 | Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators | Pfizer Inc. (US) | 2003-07-09 | — | — | EP | disclosed |
| US-5696129-A | TREATING GASTROINTESTINAL DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-12-09 | — | — | US | disclosed |
| EP-0662959-A1 | 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-07-19 | — | — | EP | disclosed |
| EP-0611370-A1 | PYRIDINE-3-CARBOXYLIC ACID ESTERS OR AMIDES USEFUL AS 5-HT 3? ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-08-24 | — | — | EP | disclosed |
| WO-1994007859-A1 | 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-04-14 | — | — | WO | disclosed |
| WO-1993008186-A1 | PYRIDINE-3-CARBOXYLIC ACID ESTERS OR AMIDES USEFUL AS 5-HT3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-04-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060094707-A1 | Constrained compounds as CGRP-receptor antagonists | CALCR, BDKRB2, CALCRL | FFAR2 276/4885ADORA1 647/4885CYP1A2 1604/4885 |
| US-20030207875-A1 | Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators | HRH4, HRH2, HTR4 | FFAR2 121/4885ADORA1 143/4885CYP1A2 590/4885 |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | CALCR, BDKRB2, CALCRL | FFAR2 276/4885ADORA1 647/4885CYP1A2 1604/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.