Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10891074 | 0.71 | MTNR1A (0.37) | ALDH1A1TSHRTP53ALOX15HPGD | |
| SCHEMBL9735187 | 0.69 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53ALOX15HPGD | |
| SCHEMBL5043562 | 0.68 | PSMB8 (0.56) | ALDH1A1HPGDELANERAB9ANPC1 | |
| SCHEMBL6489417 | 0.68 | ELANE (0.41) | ALDH1A1ELANECYP1A2 | |
| SCHEMBL9304178 | 0.68 | ACHE (0.43) | ALDH1A1ATMMEN1KMT2AGAA | |
| SCHEMBL2521923 | 0.68 | KDM4E (0.57) | ALDH1A1TSHRTP53ALOX15HPGD | |
| SCHEMBL9306820 | 0.68 | KMT2A (0.43) | TP53CYP3A4MEN1KMT2AGAA | |
| SCHEMBL18471189 | 0.68 | HPGD (0.61) | ALDH1A1TSHRTP53ALOX15HPGD | |
| SCHEMBL28418261 | 0.67 | MAPT (0.50) | ALDH1A1TSHRTP53ALOX15HPGD | |
| SCHEMBL6239005 | 0.67 | DHODH (0.60) | ALDH1A1ALOX15HSD17B10CDC25BMEN1 |
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-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |