Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 SCHEMBL9650952 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6HTTGPBAR1ALDH1A1 | |
| SCHEMBL6280288 | 0.78 | PKM (0.58) | POLBPKMMEN1KMT2ATDP1 | |
| SCHEMBL1042566 | 0.76 | SLC2A4 (0.63) | CYP1A2CYP2D6HTTALDH1A1MEN1 | |
| SCHEMBL16489591 | 0.75 | KDM4C (0.60) | HTTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL1042402 | 0.74 | CYP1A2 (0.88) | CYP1A2CYP2D6HTTALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL27688899 | 0.73 | CYP1A2 (0.84) | CYP1A2CYP2D6HTTALDH1A1POLB | |
| SCHEMBL13456619 | 0.73 | SLC6A2 (0.44) | CYP2D6ALDH1A1KDM4E | |
| SCHEMBL9846974 | 0.72 | NOS1 (0.41) | CYP1A2CYP2D6HTTALDH1A1POLB | |
| Pyridine SCHEMBL9737571 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP2D6HTTALDH1A1NPSR1 | |
| SCHEMBL11881191 | 0.71 | PKM (0.69) | CYP2D6PKMMEN1KMT2ATDP1 |
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-0480155-B1 | 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders | HOECHST ROUSSEL PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| EP-0435222-A2 | Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-07-03 | — | — | EP | disclosed |