Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HK1 | P19367 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6091929 | 0.87 | ADORA2A (0.38) | ADORA2AADORA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL3820902 | 0.75 | DCPS (0.53) | DCPS | |
| SCHEMBL8222632 | 0.73 | ADORA2A (0.35) | ADORA2AADORA1RAB9ANPC1HK1 | |
| SCHEMBL6090464 | 0.70 | SYK (0.36) | ADORA2AADORA1RAB9ANPC1HK1 | |
| SCHEMBL2000322 | 0.68 | PI4KA (0.53) | — | |
| SCHEMBL27924195 | 0.66 | HSP90AA1 (0.41) | ADORA2AADORA1RAB9ANPC1KDM4E | |
| SCHEMBL6090261 | 0.66 | ADORA2A (0.44) | ADORA2AADORA1CYP1A2RAB9ANPC1 | |
| SCHEMBL8219623 | 0.65 | CCR1 (0.42) | ADORA2AADORA1CYP1A2RAB9ANPC1 | |
| SCHEMBL1996363 | 0.65 | NOS3 (0.53) | MAPTF12PLAUNCF1NOS3 | |
| SCHEMBL8490190 | 0.65 | NCF1 (0.53) | KDM4EALDH1A1LMNATP53GAA |
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 |