Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27495770 | 0.98 | CA1 (0.43) | CA1CA2CA5ACA9CA12 | |
| Furan SCHEMBL6776506 | 0.92 | CA1 (0.40) | CA1CA2CA5ACA9CA12 | |
| SCHEMBL28198347 | 0.79 | CA12 (0.45) | CA1CA2CA9CA12CA4 | |
| SCHEMBL2376319 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTPOLBLMNATSHR | |
| SCHEMBL4016648 | 0.78 | EPHX2 (0.44) | ALOX5ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL6384320 | 0.78 | ALDH1A1 (0.40) | ALOX5ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL2376313 | 0.78 | ALDH1A1 (0.40) | ALOX5ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL6650100 | 0.77 | POLB (0.44) | ALDH1A1MAPTPOLBLMNATSHR | |
| SCHEMBL9274608 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MAPTPOLBLMNATSHR | |
| SCHEMBL14380630 | 0.74 | ALDH1A1 (0.55) | CA1CA2CA12CA4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6767906-B2 | INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. | NOVARTIS AG (CH) | 2004-07-27 | — | — | US | disclosed |
| EP-1299122-A2 | COMBINATION OF A COX-2 INHIBITOR AND A VASOMODULATOR FOR TREATING PAIN AND HEADACHE PAIN | Pharmacia Corporation (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002005799-A2 | COMBINATION OF A COX-2 INHIBITOR AND A VASOMODULATOR FOR TREATING PAIN AND HEADACHE PAIN | PHARMACIA CORPORATION (US) | 2002-01-24 | — | — | WO | disclosed |