Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.31 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31106550 | 1.00 | METAP1 (0.42) | METAP1PGRCYP3A4ALDH1A1PDK2 | |
| SCHEMBL24055009 | 0.81 | HTR2A (0.41) | METAP1PGRPDK2 | |
| SCHEMBL31106549 | 0.81 | HTR2A (0.41) | METAP1PGRPDK2 | |
| SCHEMBL5648628 | 0.79 | PGR (0.49) | METAP1PGRCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL30695369 | 0.75 | CYP3A4 (0.41) | CYP3A4ALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL9770689 | 0.75 | CYP3A4 (0.41) | CYP3A4ALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL24369477 | 0.71 | PGR (0.31) | PGRCYP3A4CYP1A2POLBCYP2C19 | |
| SCHEMBL1615553 | 0.70 | RXRA (0.46) | CYP3A4ALDH1A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL29606831 | 0.70 | RXRA (0.46) | CYP3A4ALDH1A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL5763435 | 0.69 | CYP3A4 (0.50) | METAP1CYP3A4ALDH1A1PARP10PARP11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112218629-A | Bexarotene derivatives and their use in the treatment of cancer | DJ疗法有限责任公司 | 2021-01-12 | — | — | CN | disclosed |