Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28260077 | 0.83 | CA1 (0.56) | CA9CA2CA1CA12RAB9A | |
| SCHEMBL29786464 | 0.79 | CA1 (0.64) | CA9CA2CA1CA12ALDH1A1 | |
| SCHEMBL19435473 | 0.77 | CYP3A4 (0.63) | CYP11B1KDM4EKMT2AALDH1A1POLB | |
| SCHEMBL23989160 | 0.77 | CYP11B1 (0.50) | CYP11B1KDM4EKMT2AALDH1A1POLB | |
| SCHEMBL27848151 | 0.77 | CYP11B1 (0.51) | CA9CA2CA1CA12CYP11B1 | |
| SCHEMBL28467810 | 0.77 | CA9 (0.50) | CA9CA2CA1CA12KDM4E | |
| SCHEMBL28462214 | 0.75 | STAT3 (0.52) | CA9CA2CA1CA12 | |
| SCHEMBL23129739 | 0.74 | CYP11B1 (0.46) | CYP11B1KDM4EKMT2AALDH1A1POLB | |
| SCHEMBL2812920 | 0.73 | CYP11B1 (0.66) | CYP11B1KDM4EKMT2AALDH1A1POLB | |
| SCHEMBL14247269 | 0.72 | CA9 (0.49) | CA9CA2CA1CA12KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1395606-A1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA | GLAXO GROUP LIMITED (GB) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002100886-A1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA | GLAXO GROUP LIMITED (GB) | 2002-12-19 | — | — | WO | disclosed |