Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202006 | 0.93 | KDM4E (0.41) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| Hydrochloric Acid SCHEMBL6491224 | 0.91 | KMT2A (0.39) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| SCHEMBL476374 | 0.90 | KMT2A (0.40) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| SCHEMBL5200159 | 0.88 | KMT2A (0.37) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| Hydrochloric Acid SCHEMBL6502877 | 0.86 | KMT2A (0.36) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| SCHEMBL8913521 | 0.84 | KDM4E (0.35) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| SCHEMBL28209374 | 0.81 | KDM4E (0.39) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| Hydrochloric Acid SCHEMBL17560417 | 0.79 | KDM4E (0.38) | KDM4EKMT2AGABRA1TSHRGABRG2 | |
| SCHEMBL4496703 | 0.79 | — | — | |
| SCHEMBL27914277 | 0.76 | GABRA5 (0.44) | GABRA1TSHRGABRG2GABRB3GABRA5 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012122128-A2 | DETECTION OF CANCER BY VOLATILE ORGANIC COMPOUNDS FROM BREATH | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-09-13 | — | — | WO | claimed |
| EP-2411383-A1 | DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-02-01 | — | — | EP | claimed |
| WO-2010109150-A1 | DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2010-09-30 | — | — | WO | claimed |
| EP-1781636-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | Sanofi-Aventis (FR) | 2007-05-09 | — | — | EP | claimed |
| WO-2006024777-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | SANOFI-AVENTIS (FR) | 2006-03-09 | — | — | WO | claimed |
| WO-2012122128-A2 | DETECTION OF CANCER BY VOLATILE ORGANIC COMPOUNDS FROM BREATH | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-09-13 | — | — | WO | disclosed |
| EP-1979319-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | Solvay Pharmaceuticals GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007088181-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |
| EP-1781636-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | Sanofi-Aventis (FR) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006024777-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | SANOFI-AVENTIS (FR) | 2006-03-09 | — | — | WO | disclosed |
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |