Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | YES1 | P07947 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ICMT | O60725 | 7/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8416389 | 0.86 | HTR2C (0.59) | HTR6YES1KDRJAK3HTR2C | |
| SCHEMBL8806145 | 0.82 | YES1 (0.55) | YES1KDRJAK3ALDH1A1GAA | |
| SCHEMBL8418190 | 0.81 | CYP19A1 (0.58) | HTR6YES1KDRJAK3HTR2C | |
| SCHEMBL9055307 | 0.81 | YES1 (0.69) | HTR6YES1KDRJAK3HTR2C | |
| SCHEMBL16026993 | 0.80 | HTR6 (0.55) | HTR6KDRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4354844 | 0.79 | ICMT (0.54) | HTR6ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL9056608 | 0.77 | CYP19A1 (0.55) | YES1KDRJAK3HTR2CALDH1A1 | |
| SCHEMBL24144381 | 0.75 | ICMT (0.50) | HTR6KDRICMTROCK2ROCK1 | |
| SCHEMBL8418107 | 0.74 | CYP19A1 (0.56) | HTR6YES1KDRJAK3HTR2C | |
| SCHEMBL24143255 | 0.74 | NR1D1 (0.47) | HTR6ICMTROCK2ROCK1MKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996004266-A2 | INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS | ASTA MEDICA AKTIENGESELLSCHAFT (DE) | 1996-02-15 | — | — | WO | disclosed |