Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.55 |
| ▸ | YES1 | P07947 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | JAK3 | P52333 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418107 | 0.97 | CYP19A1 (0.56) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL8418190 | 0.92 | CYP19A1 (0.58) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL8415599 | 0.85 | HTR2C (0.65) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL8416389 | 0.84 | HTR2C (0.59) | CYP19A1YES1KDRJAK3POLB | |
| SCHEMBL9055307 | 0.83 | YES1 (0.69) | CYP19A1YES1KDRJAK3POLB | |
| SCHEMBL8805799 | 0.83 | YES1 (0.74) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL8415790 | 0.80 | HTR2C (0.67) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL9054761 | 0.80 | YES1 (0.83) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL8416372 | 0.77 | YES1 (0.67) | CYP19A1YES1KDRJAK3ALDH1A1 | |
| SCHEMBL9056608 | 0.77 | CYP19A1 (0.55) | CYP19A1YES1KDRJAK3ALDH1A1 |
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 |