Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 2/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27949639 | 0.87 | ALDH1A1 (0.60) | ALDH1A1MAOAMAPK1CYP1A2CYP3A4 | |
| SCHEMBL26858522 | 0.85 | MAOA (0.46) | ALDH1A1CRHBPCRHR2MAOAKMO | |
| SCHEMBL13203181 | 0.83 | CYP19A1 (0.46) | ALDH1A1TDP1KDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL23532352 | 0.82 | MAOA (0.48) | ALDH1A1CRHBPCRHR2MAOAKMO | |
| SCHEMBL28753733 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| SCHEMBL15987409 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| SCHEMBL24409173 | 0.78 | ALDH1A1 (0.47) | ALDH1A1EGFRMAPK1CYP1A2CYP3A4 | |
| SCHEMBL4332773 | 0.78 | ALDH1A1 (0.75) | ALDH1A1CRHBPCRHR2EGFRMAOA | |
| SCHEMBL8452262 | 0.78 | ALDH1A1 (0.75) | ALDH1A1CRHBPCRHR2EGFRMAOA | |
| SCHEMBL481505 | 0.78 | ALDH1A1 (0.75) | ALDH1A1CRHBPCRHR2EGFRMAOA |
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-103459405-B | Process for producing transition metal complex, catalyst for trimerization, process for producing 1-hexene, process for producing substituted cyclopentadiene compound (1) | 住友化学株式会社 | 2016-09-28 | — | — | CN | disclosed |