Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9346838 | 0.91 | EPHX1 (0.43) | EPHX1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL10450048 | 0.90 | CYP1A2 (0.39) | EPHX1SIGMAR1CYP1A2LMNATDP1 | |
| SCHEMBL31118120 | 0.87 | EPHX1 (0.45) | EPHX1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL11451845 | 0.86 | GBA1 (0.53) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10449491 | 0.84 | PKM (0.40) | EPHX1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL6949944 | 0.80 | TDP1 (0.38) | EPHX1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31117977 | 0.80 | EPHX1 (0.42) | EPHX1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL7496228 | 0.80 | TRPA1 (0.44) | CYP1A2TDP1SLC18A2 | |
| SCHEMBL7492155 | 0.80 | TRPA1 (0.44) | CYP1A2TDP1SLC18A2 | |
| SCHEMBL16191154 | 0.78 | TDP1 (0.43) | SIGMAR1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994008977-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-28 | — | — | WO | disclosed |