Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9561254 | 0.80 | CNR1 (0.40) | HTR6CNR1ALDH1A1LMNAHPGD | |
| SCHEMBL3237494 | 0.78 | CA2 (0.62) | HTR6CNR1ALDH1A1LMNAHPGD | |
| SCHEMBL31561597 | 0.78 | CA2 (0.62) | HTR6CNR1ALDH1A1LMNAHPGD | |
| SCHEMBL8120975 | 0.78 | KDM4E (0.49) | HTR6CNR1CA2ITK | |
| SCHEMBL27867018 | 0.78 | KDM4E (0.47) | HTR6CNR1ALDH1A1LMNAHPGD | |
| SCHEMBL6618503 | 0.78 | CA2 (0.46) | HTR6CNR1ALDH1A1LMNACA2 | |
| SCHEMBL7407839 | 0.78 | CNR1 (0.54) | CYP19A1HTR6CNR1CA2AKR1B1 | |
| SCHEMBL5190594 | 0.78 | AKR1B1 (0.56) | CYP19A1HTR6CNR1ALDH1A1LMNA | |
| Benzene SCHEMBL27954411 | 0.76 | CYP19A1 (0.47) | CYP19A1DRD2DRD4DRD3IMPDH2 | |
| SCHEMBL17803693 | 0.75 | CA2 (0.42) | HTR6CNR1CA2CA1AKR1B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110551055-B | Preparation method of 3- (4-chlorobutyl) -5-cyanoindole | 新发药业有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-110551055-A | Preparation method of 3- (4-chlorobutyl) -5-cyanoindole | XINFA PHARMACEUTICAL CO LTD | 2019-12-10 | — | — | CN | disclosed |
| CN-103709089-A | Method for preparing 3-(4'-chlorobutyl)-5-cyanoindole | NANTONG HENGSHENG FINE CHEMICAL CO LTD | 2014-04-09 | — | — | CN | disclosed |
| CN-103709089-A | Method for preparing 3-(4'-chlorobutyl)-5-cyanoindole | NANTONG HENGSHENG FINE CHEMICAL CO LTD | 2014-04-09 | — | — | CN | disclosed |
| EP-0571471-A1 | 5-HETEROYL INDOLE DERIVATIVES. | PFIZER (US) | 1993-12-01 | — | — | EP | disclosed |