Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653103 | 0.89 | CLK4 (0.50) | CYP3A4ALDH1A1HSD17B10TDP1CLK4 | |
| SCHEMBL22807037 | 0.81 | PTGS2 (0.56) | CYP3A4CLK4PTGS1PTGS2 | |
| SCHEMBL18118200 | 0.81 | CA2 (0.60) | CA2CA9CA12CA1 | |
| SCHEMBL996104 | 0.80 | ALDH1A1 (0.48) | CYP3A4ALDH1A1HSD17B10TDP1CLK4 | |
| SCHEMBL150162 | 0.78 | ALDH1A1 (0.60) | CYP3A4ALDH1A1HSD17B10TDP1CA2 | |
| SCHEMBL5891023 | 0.78 | ALDH1A1 (0.60) | CYP3A4ALDH1A1HSD17B10TDP1CA2 | |
| SCHEMBL6685962 | 0.78 | CLK4 (0.64) | CYP3A4ALDH1A1HSD17B10CLK4ADRB2 | |
| SCHEMBL26921722 | 0.78 | CA2 (0.51) | ALDH1A1HSD17B10TDP1CA2CA9 | |
| Water SCHEMBL7024182 | 0.76 | ALDH1A1 (0.57) | CYP3A4ALDH1A1HSD17B10TDP1CA2 | |
| SCHEMBL16625771 | 0.75 | CLK4 (0.61) | CYP3A4ALDH1A1HSD17B10CLK4ADRB2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2718264-B1 | BENZOCYCLOHEPTENE ACETIC ACIDS | HOFFMANN LA ROCHE (CH) | 2015-08-05 | — | — | EP | disclosed |
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | disclosed |
| US-20150011541-A1 | PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2015-01-08 | — | — | US | disclosed |
| EP-2718264-A1 | BENZOCYCLOHEPTENE ACETIC ACIDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-04-16 | — | — | EP | disclosed |
| WO-2013097947-A1 | PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-07-04 | — | — | WO | disclosed |
| EP-2610245-A1 | Pipecolate-sulfonamides for treatment of psychiatric disorders | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012168162-A1 | BENZOCYCLOHEPTENE ACETIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-13 | — | — | WO | disclosed |
| US-20120309796-A1 | BENZOCYCLOHEPTENE ACETIC ACIDS | FIROOZNIA FARIBORZ (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | disclosed |
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | 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-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | BRDT, NISCH, PAICS | CYP3A4 73/4885ALDH1A1 1336/4885HSD17B10 554/4885 |
| US-20150011541-A1 | PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS | SYNGR2, SLC18A2, SLC6A3 | CYP3A4 2825/4885ALDH1A1 2630/4885HSD17B10 452/4885 |
| US-20120309796-A1 | BENZOCYCLOHEPTENE ACETIC ACIDS | ACAT2, ACAT1, CYP27A1 | CYP3A4 134/4885ALDH1A1 26/4885HSD17B10 24/4885 |
“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.