Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HNF4A | P41235 | 1/20 | 0.51 |
| ▸ | GSTA1 | P08263 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7798423 | 0.88 | ALDH1A1 (0.65) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL22938973 | 0.81 | ALDH1A1 (0.65) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL9686287 | 0.79 | SELL (0.66) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL21812546 | 0.78 | AKR1C2 (0.68) | ALDH1A1HPGDKDM4EHNF4ACYP3A4 | |
| SCHEMBL5962842 | 0.76 | GSTA1 (0.62) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL9450719 | 0.76 | CA1 (0.70) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL30740067 | 0.75 | LIG1 (0.55) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL1334176 | 0.75 | ALDH1A1 (0.74) | ALDH1A1HPGDCA1CA2KDM4E | |
| SCHEMBL301928 | 0.75 | LIG1 (0.55) | ALDH1A1HPGDCA1CA2KDM4E | |
| Salicylic Acid SCHEMBL28162812 | 0.75 | ALDH1A1 (0.67) | ALDH1A1HPGDCA1CA2KDM4E |
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-6288265-B1 | HYDROXYBENZOIC ACID OR HYDROXYBENZAMIDE DERIVATIVES | NATIONAL SCIENCE COUNCIL (TW) | 2001-09-11 | — | — | US | disclosed |
| US-6121255-A | 7-(PHLOROGLUCIDAMIDO)CEPHALOSPORINS OR CEPHALOSPORIN 3'-PHLOROGLUCIDE ESTER ANTIBIOTICS | NATIONAL SCIENCE COUNCIL (TW) | 2000-09-19 | — | — | US | disclosed |