Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.42 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11443594 | 0.85 | MAPT (0.41) | ALDH1A1GPR35SMN1; SMN2MAPTHTT | |
| SCHEMBL28850334 | 0.84 | CYP3A4 (0.49) | ALDH1A1GPR35SMN1; SMN2TSHRTDP1 | |
| SCHEMBL11452376 | 0.80 | HSD17B10 (0.43) | ALDH1A1GPR35SMN1; SMN2TSHRHPGD | |
| SCHEMBL11450427 | 0.78 | CASP6 (0.42) | ALDH1A1GPR35MAPK1SMN1; SMN2TSHR | |
| SCHEMBL7911029 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPK1SMN1; SMN2HPGDTDP1 | |
| SCHEMBL18707834 | 0.75 | ALDH1A1 (0.41) | ALDH1A1GPR35MAPK1SMN1; SMN2TSHR | |
| SCHEMBL5079763 | 0.75 | TDP1 (0.59) | ALDH1A1GPR35MAPK1SMN1; SMN2TSHR | |
| SCHEMBL845167 | 0.74 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TSHRTP53TDP1 | |
| SCHEMBL1795352 | 0.73 | TDP1 (0.57) | ALDH1A1GPR35MAPK1SMN1; SMN2TSHR | |
| SCHEMBL15957599 | 0.73 | DRD5 (0.44) | ALDH1A1GPR35TSHRTDP1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023048034-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP | 東レ・ファインケミカル株式会社 | 2023-03-30 | — | — | WO | disclosed |
| WO-2023008401-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP | 東レ・ファインケミカル株式会社 | 2023-02-02 | — | — | WO | disclosed |
| US-4219679-A | HIGH CONVERSION | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-26 | — | — | US | disclosed |
| US-4216341-A | Selective hydrogenation of certain nitroaromatic hydroxy substituted acetylenes over a heterogeneous RuS2 catalyst | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-05 | — | — | US | disclosed |
| US-4139561-A | RUTHENIUM HYDROGENATION CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-02-13 | — | — | US | disclosed |