Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL522479 | 0.85 | EGFR (0.43) | HTTKIF11EGFRCYP4F2CYP4A11 | |
| SCHEMBL2009460 | 0.85 | ALDH1A1 (0.35) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29987766 | 0.85 | ALDH1A1 (0.35) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27930482 | 0.84 | TDP1 (0.35) | HTTKIF11EGFRCYP4F2CYP4A11 | |
| SCHEMBL21936226 | 0.83 | CYP1A2 (0.38) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31139279 | 0.81 | BCHE (0.42) | HTTBCHETRPA1ALDH1A1CA2 | |
| SCHEMBL13226798 | 0.79 | CYP4F2 (0.37) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18562850 | 0.79 | LOXL2 (0.43) | IDO1AGXT | |
| SCHEMBL8771711 | 0.79 | TRPA1 (0.43) | CYP1A2KIF11CYP4F2CYP4A11TRPA1 | |
| SCHEMBL17414712 | 0.79 | KIF11 (0.33) | HTTKIF11EGFRCYP4F2CYP4A11 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| WO-2016083816-A1 | N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2016-06-02 | — | — | WO | disclosed |
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |
| US-6583126-B2 | Treating diabetes, obesity, and diabetes-related diseases. | MERCK EROSST CANADA & CO. | 2003-06-24 | — | — | US | disclosed |
| EP-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | disclosed |
| US-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | MERCK FROSST CANADA LTD. (CA) | 2002-05-02 | — | — | US | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | 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 (2 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-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | PTPRO, PTPRC, PPM1B | HTT 1784/4885CYP1A2 3390/4885CYP2D6 2096/4885 |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | HTT 2445/4885CYP1A2 3897/4885CYP2D6 4199/4885 |
“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.