Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 3/20 | 0.42 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.41 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.41 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.41 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.41 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7957564 | 0.95 | TYR (0.48) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7958039 | 0.91 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7958044 | 0.91 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7959233 | 0.89 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7959236 | 0.89 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7948106 | 0.88 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7948101 | 0.88 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL6873455 | 0.85 | CYP1A2 (0.46) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL5831830 | 0.85 | TYR (0.57) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7958087 | 0.85 | TYR (0.57) | CYP1A2NFKB1THPOALDH1A1PMP22 |
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 |
|---|---|---|---|---|---|---|---|
| US-6271342-B1 | SERUM STABILITY; FOR TUMOR THERAPY | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |