Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL12372084 | 0.92 | P2RX3 (0.42) | S1PR1S1PR3P2RX3KDRRAB9A | |
| SCHEMBL4388255 | 0.89 | S1PR1 (0.40) | S1PR1S1PR3KDRPOLBNPC1 | |
| SCHEMBL7055717 | 0.80 | S1PR1 (0.41) | S1PR1S1PR3NPC1RAB9AALDH1A1 | |
| SCHEMBL5779687 | 0.78 | NPC1 (0.34) | POLBNPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4654781 | 0.77 | P2RX3 (0.40) | P2RX3ALDH1A1CNR1 | |
| SCHEMBL8635242 | 0.76 | NPC1 (0.31) | KDRNPC1RAB9AALDH1A1 | |
| SCHEMBL27608112 | 0.76 | KMT2A (0.35) | ALDH1A1TP53 | |
| SCHEMBL7052174 | 0.76 | P2RX3 (0.39) | P2RX3ALDH1A1CNR1 | |
| SCHEMBL4654929 | 0.74 | CAMK2D (0.37) | CNR1 | |
| SCHEMBL12398941 | 0.73 | P2RX3 (0.42) | S1PR1S1PR3P2RX3POLBRAB9A |
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 |