Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CCKBR | P32239 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805502 | 0.89 | MAPK1 (0.44) | CYP3A4CYP1A2HPGDTDP1CYP2C9 | |
| SCHEMBL8806399 | 0.79 | ALDH1A1 (0.51) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL8804263 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL8805578 | 0.74 | ALDH1A1 (0.51) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL2087168 | 0.73 | HPGD (0.61) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL8804608 | 0.73 | CYP1A2 (0.46) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL8804285 | 0.72 | KMT2A (0.47) | CYP3A4CYP1A2HPGDTDP1MTNR1A | |
| SCHEMBL11280813 | 0.71 | NPC1 (0.47) | HPGDTDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8788245 | 0.70 | CYP1A2 (0.47) | CYP3A4CYP1A2HPGDTDP1KMT2A | |
| SCHEMBL8805181 | 0.69 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2GALR3HTT |
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-0775131-A2 | INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS | ASTA Medica Aktiengesellschaft (DE) | 1997-05-28 | — | — | EP | disclosed |