Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.31 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 2/20 | 0.30 |
| ▸ | PLEC | Q15149 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6427628 | 0.91 | TDP1 (0.38) | TDP1POLBALDH1A1PTGS2PTGS1 | |
| SCHEMBL5735900 | 0.85 | FFAR1 (0.40) | CYP26A1FFAR1CYP3A4ACACB | |
| SCHEMBL5735868 | 0.81 | ADH5 (0.38) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6427152 | 0.78 | TBXAS1 (0.35) | ALDH1A1AAK1FFAR1 | |
| SCHEMBL5735726 | 0.75 | ADH5 (0.47) | ALDH1A1CYP3A4BAZ2B | |
| SCHEMBL5736507 | 0.72 | FFAR1 (0.44) | POLBFFAR1 | |
| SCHEMBL5738924 | 0.69 | LMNA (0.49) | ALDH1A1KMT2ACYP3A4BAZ2B | |
| SCHEMBL7984336 | 0.67 | PDE4A (0.37) | ALDH1A1AAK1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL6427797 | 0.66 | TBXAS1 (0.41) | ALDH1A1ACACB | |
| SCHEMBL17679919 | 0.64 | ADH5 (0.65) | ALDH1A1CYP3A4BAZ2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |