Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | RECQL | P46063 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11846875 | 0.98 | ALDH1A1 (0.54) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL9427635 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL8896343 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL8342307 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL8896348 | 0.84 | MTNR1A (0.56) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL7603139 | 0.84 | LMNA (0.53) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL11843370 | 0.82 | RAB9A (0.55) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13222645 | 0.82 | FFAR1 (0.57) | ALDH1A1MAPK1FFAR1CYP1A2CYP3A4 | |
| SCHEMBL10345933 | 0.82 | TDP1 (0.63) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11843381 | 0.81 | RAB9A (0.54) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |
| US-3989710-A | POSTEMERGENCE HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |