Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | PI4KA | P42356 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3896 | 0.88 | ALDH1A1 (0.59) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| SCHEMBL671499 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Water SCHEMBL316720 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Hydrochloric Acid SCHEMBL28253846 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| SCHEMBL11039497 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Ammonia Solution, Strong SCHEMBL27831351 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Purine SCHEMBL2120554 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Purine SCHEMBL3158 | 0.84 | — | — | |
| Purine SCHEMBL29703771 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Purine SCHEMBL6421380 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4ECDK2RXFP1PAK1 |
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-2007078615-A2 | METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER | CAVIT SCIENCES, INC (US) | 2007-07-12 | — | — | WO | disclosed |
| US-6136835-A | VIRICIDES USING BIS/TRIAZOLE PROPANOL DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-24 | — | — | US | disclosed |