Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8678902 | 0.75 | CA1 (0.50) | KMT2ACA1CA2CA4CA9 | |
| SCHEMBL28061741 | 0.74 | KMT2A (0.45) | KMT2ACA1CA2CA4CA9 | |
| SCHEMBL6616045 | 0.73 | KMT2A (0.43) | KMT2ACA1CA2CA4CA9 | |
| SCHEMBL6616048 | 0.67 | RAB9A (0.58) | KMT2ARAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL10800380 | 0.63 | GBA1 (0.50) | KMT2ACA1CA2CA9SIGMAR1 | |
| SCHEMBL7249296 | 0.61 | APLNR (0.46) | KMT2ACA1CA2CA9HPGD | |
| SCHEMBL4658657 | 0.61 | SLC6A4 (0.50) | KMT2ACA1CA2CA4CA9 | |
| Fumaric Acid SCHEMBL10799317 | 0.61 | HRH1 (0.50) | KMT2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4608203 | 0.61 | KMT2A (0.55) | KMT2ARAB9AALDH1A1HPGDPOLB | |
| SCHEMBL8499274 | 0.61 | CA1 (0.60) | CA1CA2CA4CA9SLC6A2 |
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-6207697-B1 | AMIDINYL-SUBSTITUTED RINGS; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; STROKES; SERINE PROTEASE INHIBITORS | DUPONT PHARMACEUTICALS COMPANY | 2001-03-27 | — | — | US | disclosed |
| EP-1015429-A1 | BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA | Du Pont Pharmaceuticals Company (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012903-A1 | BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-03-18 | — | — | WO | disclosed |