Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 5/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL26332927 | 0.82 | MAPK1 (0.61) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL26344774 | 0.82 | MAPK1 (0.61) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL34468119 | 0.82 | TSHR (0.66) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL166344 | 0.79 | GAA (0.42) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL13753343 | 0.79 | TSHR (0.72) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL13753401 | 0.79 | HPGD (0.71) | MAPK1TSHRESR2POLBKMT2A | |
| SCHEMBL28474528 | 0.78 | MAPK1 (0.55) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL8586880 | 0.77 | MAPK1 (0.56) | MAPK1TSHRESR2POLBCYP2C19 | |
| SCHEMBL18118621 | 0.76 | RAB9A (0.69) | MAPK1TSHRESR2POLBKMT2A | |
| Fenfuram SCHEMBL18978 | 0.76 | SMN1; SMN2 (0.73) | MAPK1ESR2POLBCYP2C19CYP3A4 |
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-7462608-B2 | Non nucleoside reverse transcriptase inhibitors | GILEAD SCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |