Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGAV | P06756 | 2/20 | 0.51 |
| ▸ | KYNU | Q16719 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5406941 | 0.86 | PIN1 (0.61) | PIN1PTPN1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL5406933 | 0.86 | PIN1 (0.61) | PIN1PTPN1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL4934953 | 0.85 | PTPN1 (0.65) | PIN1PTPN1MAPTCYP1A2CYP2C9 | |
| SCHEMBL4934964 | 0.85 | PTPN1 (0.65) | PIN1PTPN1MAPTCYP1A2CYP2C9 | |
| SCHEMBL7151822 | 0.80 | ALDH1A1 (0.74) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL329686 | 0.80 | ALDH1A1 (0.74) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3591389 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP3A4ALOX15PARP1 | |
| SCHEMBL3591382 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP3A4ALOX15PARP1 | |
| Hydrochloric Acid SCHEMBL7928050 | 0.78 | ALDH1A1 (0.72) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6601755 | 0.78 | PARP1 (0.56) | PIN1PARP1PARP3ITGB3ITGAV |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |