Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6533212 | 0.83 | PARP1 (0.44) | PARP1KDM4ERAB9AALDH1A1GAA | |
| SCHEMBL3559657 | 0.69 | ALDH1A1 (0.54) | KDM4ENPC1RAB9AALDH1A1GAA | |
| SCHEMBL27484628 | 0.68 | ALDH1A1 (0.58) | PARP1CDC7KDM4ENPC1RAB9A | |
| SCHEMBL7503129 | 0.68 | BTK (0.43) | CDC7KDM4ENPC1RAB9AATM | |
| SCHEMBL2417969 | 0.67 | ALDH1A1 (0.49) | KDM4ENPC1RAB9AALDH1A1GAA | |
| SCHEMBL31238942 | 0.67 | PARP1 (0.46) | PARP1AURKACDC7KDM4ENPC1 | |
| SCHEMBL10406074 | 0.67 | PARP1 (0.46) | PARP1AURKACDC7KDM4ENPC1 | |
| SCHEMBL29412126 | 0.67 | PKN1 (0.64) | PARP1RPS6KB1GAAPIM1 | |
| SCHEMBL6532748 | 0.67 | ADORA2A (0.42) | CDC7KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL28309327 | 0.66 | MAPT (0.51) | PARP1KDM4ENPC1RAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005105777-A1 | SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-11-10 | — | — | WO | disclosed |