Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HK1 | P19367 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.30 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.30 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.30 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.30 |
| ▸ | F12 | P00748 | 1/20 | 0.30 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6088037 | 0.87 | ADORA2A (0.41) | ADORA2AADORA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6090261 | 0.78 | ADORA2A (0.44) | ADORA2AADORA1CYP1A2NPC1RAB9A | |
| SCHEMBL394560 | 0.75 | DCPS (0.53) | DCPS | |
| SCHEMBL6090464 | 0.73 | SYK (0.36) | ADORA2AADORA1NPC1HK1RAB9A | |
| SCHEMBL8222632 | 0.70 | ADORA2A (0.35) | ADORA2AADORA1NPC1HK1RAB9A | |
| SCHEMBL478773 | 0.68 | PI4KA (0.53) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27924195 | 0.66 | HSP90AA1 (0.41) | ADORA2AADORA1NPC1RAB9API4KA | |
| SCHEMBL8221653 | 0.65 | CCR1 (0.42) | ADORA2AADORA1CYP1A2NPC1RAB9A | |
| SCHEMBL1384661 | 0.65 | NOS3 (0.53) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL17830 | 0.64 | ALDH1A1 (0.54) | CYP1A2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7005435-B2 | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-02-28 | — | — | US | disclosed |