Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9821040 | 0.86 | FFAR1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16232159 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9820889 | 0.78 | MAPT (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12765360 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1018424 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24890441 | 0.76 | KDM1A (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16232154 | 0.76 | SLC9A1 (0.60) | ALDH1A1SLC9A1MAPTGAAHRH3 | |
| SCHEMBL9820772 | 0.76 | NPC1 (0.44) | ALDH1A1CYP2C19NPC1SMN1; SMN2HRH3 | |
| SCHEMBL1019924 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12765396 | 0.76 | SLC9A1 (0.60) | ALDH1A1SLC9A1MAPTGAAHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0188887-B1 | TERTIARY AMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-02 | — | — | EP | disclosed |
| EP-0188887-A1 | Tertiary amine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-07-30 | — | — | EP | disclosed |