Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939765 | 0.98 | TDP1 (0.40) | BCHEHPGD | |
| SCHEMBL7746382 | 0.98 | TDP1 (0.40) | BCHEHPGD | |
| SCHEMBL7746427 | 0.97 | HTR2A (0.42) | HPGDABCB1ABCG2 | |
| SCHEMBL6160386 | 0.91 | ABCB1 (0.44) | ABCB1ABCG2 | |
| SCHEMBL8939736 | 0.87 | TUBB4A (0.50) | — | |
| SCHEMBL8939791 | 0.85 | APP (0.38) | — | |
| SCHEMBL8827586 | 0.85 | HTR7 (0.40) | — | |
| SCHEMBL8939769 | 0.83 | LTA4H (0.42) | HPGDABCB1ABCG2 | |
| SCHEMBL8939724 | 0.78 | MAOB (0.44) | ABCB1ABCG2 | |
| SCHEMBL7746343 | 0.78 | TNKS2 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127049-A1 | BRIDGED HETEROCYCLIC DERIVATIVES | GPI NIL Holdings, Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2001042245-A1 | NEUROTROPHIC BICYCLIC DIAMIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |
| WO-2000016603-A2 | BRIDGED HETEROCYCLIC DERIVATIVES | GPI NIL HOLDINGS, INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| US-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |