Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | VNN1 | O95497 | 1/20 | 0.55 |
| ▸ | BTD | P43251 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | SPR | P35270 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17444269 | 0.86 | OPRM1 (0.58) | CHRM2VNN1BTDALDH1A1LMNA | |
| SCHEMBL4815807 | 0.85 | MAPK1 (0.57) | CHRM2ALDH1A1LMNAHPGDPKM | |
| SCHEMBL4815797 | 0.85 | MAPK1 (0.57) | CHRM2ALDH1A1LMNAHPGDPKM | |
| SCHEMBL10700296 | 0.83 | CHRM2 (0.57) | CHRM2ALDH1A1LMNAPKMMAPK1 | |
| SCHEMBL19159945 | 0.83 | CYP3A4 (0.68) | ALDH1A1HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL17443920 | 0.82 | OPRM1 (0.48) | CHRM2VNN1BTDALDH1A1LMNA | |
| SCHEMBL5446400 | 0.82 | CHRM2 (0.65) | CHRM2ALDH1A1LMNAPKMMAPK1 | |
| SCHEMBL14731514 | 0.82 | MAPK1 (0.53) | CHRM2ALDH1A1LMNAHPGDPKM | |
| SCHEMBL17444174 | 0.82 | CHRM2 (0.45) | CHRM2VNN1BTDALDH1A1LMNA | |
| SCHEMBL19159719 | 0.81 | MGLL (0.66) | CHRM2ALDH1A1HPGDMEN1KMT2A |
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-3196199-A2 | SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR | Yang Ji Chemical Co., Ltd. (KR) | 2017-07-26 | — | — | EP | disclosed |