Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4331801 | 0.82 | TSHR (0.46) | CYP1A2CYP2D6TSHRKDM4EALDH1A1 | |
| SCHEMBL28790233 | 0.78 | TSHR (0.42) | CYP1A2CYP2D6TSHRKDM4EALDH1A1 | |
| SCHEMBL295338 | 0.77 | CYP2D6 (0.52) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| SCHEMBL7491387 | 0.77 | CYP2D6 (0.52) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| SCHEMBL2034432 | 0.77 | CYP2D6 (0.52) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| SCHEMBL1153634 | 0.77 | CYP2D6 (0.52) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| SCHEMBL7491379 | 0.77 | CYP2D6 (0.52) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL8841086 | 0.76 | CYP2D6 (0.50) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL8841088 | 0.76 | CYP2D6 (0.50) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 | |
| SCHEMBL13951979 | 0.76 | CYP2D6 (0.48) | CYP1A2CYP2D6KDM4ELMNAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831772-A2 | INTRAURETHRAL PHARMACOTHERAPY OF INCONTINENCE | IOTEK, INC. (US) | 1998-04-01 | — | — | EP | claimed |
| WO-1996040054-A2 | INTRAURETHRAL PHARMACOTHERAPY OF INCONTINENCE | IOTEK, INC. (US) | 1996-12-19 | — | — | WO | claimed |
| US-4191777-A | Maleic acid halfamides having blood pressure raising activity | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-03-04 | — | — | US | disclosed |