Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5738746 | 0.81 | CYP3A4 (0.65) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1668185 | 0.78 | CYP1A2 (0.59) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| Tryptophol SCHEMBL649225 | 0.78 | CYP1A2 (0.58) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1272559 | 0.77 | HTR2A (0.57) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL7969785 | 0.77 | HTR2A (0.62) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL104310 | 0.77 | HTR2A (0.61) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| Tryptamine SCHEMBL9321966 | 0.77 | HTR2A (0.76) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL7848453 | 0.76 | ALDH1A1 (0.67) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5513169 | 0.75 | HTR2A (0.64) | CYP1A2ALDH1A1CYP3A4CYP2D6MEN1 | |
| SCHEMBL23897642 | 0.74 | MAPT (0.59) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |