Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ACSS2 | Q9NR19 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 6/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8635242 | 0.95 | NPC1 (0.31) | NPC1RAB9AACSS2ALDH1A1KDM4E | |
| SCHEMBL27608112 | 0.83 | KMT2A (0.35) | ALDH1A1KDM4ETSHRGAAALOX15 | |
| SCHEMBL4388255 | 0.80 | S1PR1 (0.40) | NPC1RAB9ATHRBLMNAPOLB | |
| SCHEMBL12372084 | 0.80 | P2RX3 (0.42) | RAB9AALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL5779683 | 0.78 | S1PR1 (0.36) | NPC1RAB9AALDH1A1THRBLMNA | |
| SCHEMBL4654929 | 0.73 | CAMK2D (0.37) | — | |
| SCHEMBL7055717 | 0.72 | S1PR1 (0.41) | NPC1RAB9AALDH1A1MAPTLMNA | |
| SCHEMBL4654781 | 0.72 | P2RX3 (0.40) | ALDH1A1TSHRMAPT | |
| SCHEMBL5663451 | 0.71 | CNR1 (0.35) | HPGDLMNAPOLB | |
| SCHEMBL7052174 | 0.71 | P2RX3 (0.39) | ALDH1A1TSHRMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944619-B1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2006-10-11 | — | — | EP | disclosed |
| US-6358976-B1 | FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION | LANTHEUS MI REAL ESTATE, LLC | 2002-03-19 | — | — | US | disclosed |
| US-6130231-A | SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES | DUPONT PHARMACEUTICALS (US) | 2000-10-10 | — | — | US | disclosed |