Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL659657 | 0.85 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL11743114 | 0.84 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL136599 | 0.83 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL7423422 | 0.83 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL28642593 | 0.83 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL4035522 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL4959091 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL19179591 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL5677233 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 | |
| SCHEMBL27557280 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ATMTDP1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1087934-C | Use of phenalkylamines | HOFFMANN LA ROCHE (CH) | 2002-07-24 | — | — | CN | disclosed |
| CN-1103781-A | Use of phenalkylamines | HOFFMANN LA ROCHE (CH) | 1995-06-21 | — | — | CN | disclosed |