Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | RGS12 | O14924 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154924 | 0.85 | ALDH1A1 (0.34) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL9154928 | 0.85 | ALDH1A1 (0.34) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL9704385 | 0.79 | CYP1A2 (0.44) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL14065364 | 0.78 | ALDH1A1 (0.53) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL9152220 | 0.76 | PGK1 (0.52) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL9154829 | 0.74 | PGK1 (0.38) | CTSSCTSKPAX8ACACBACACA | |
| SCHEMBL9155625 | 0.71 | SGMS2 (0.39) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL9284618 | 0.70 | ALDH1A1 (0.41) | ALDH1A1CYP1A2KMT2AMAPTKDM4E | |
| SCHEMBL5516634 | 0.69 | KDM4E (0.54) | ALDH1A1AKR1C3AKR1C1CTSSCTSK | |
| SCHEMBL5950787 | 0.67 | ALDH1A1 (0.58) | ALDH1A1CYP1A2KMT2AMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5175153-A | Antiischemic agents or antiepileptic agents | WARNER-LAMBERT COMPANY (US) | 1992-12-29 | — | — | US | disclosed |