Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PTGES | O14684 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL21295543 | 0.87 | CYP19A1 (0.59) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL30744011 | 0.87 | CYP19A1 (0.59) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL12075923 | 0.86 | UTS2R (0.51) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL8973738 | 0.84 | CYP19A1 (0.57) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL15537528 | 0.83 | CYP19A1 (0.42) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL6819180 | 0.82 | CYP19A1 (0.56) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL8973852 | 0.82 | CYP19A1 (0.56) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL4348680 | 0.82 | TTR (0.46) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL28730553 | 0.81 | CYP19A1 (0.40) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL28730556 | 0.81 | CYP19A1 (0.40) | CYP19A1ALDH1A1MAPTSMN1; SMN2MEN1 |
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-2018130174-A1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 江苏豪森药业集团有限公司 | 2018-07-19 | — | — | WO | disclosed |