Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152135 | 0.78 | PARP1 (0.50) | ALDH1A1KDM4EHRH3AKR1C3 | |
| SCHEMBL6103069 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KMT2ATDP1ADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL28334700 | 0.77 | PARP1 (0.49) | ALDH1A1KDM4EHRH3AKR1C3 | |
| SCHEMBL16343091 | 0.76 | DRD2 (0.54) | ALDH1A1KDM4EHRH3AKR1C3 | |
| SCHEMBL9463940 | 0.72 | HRH3 (0.43) | KMT2AMEN1HRH3AKR1C3 | |
| Hydrochloric Acid SCHEMBL11363812 | 0.72 | ALDH1A1 (0.43) | ALDH1A1KMT2AADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL11072292 | 0.72 | ALDH1A1 (0.43) | ALDH1A1KMT2AHPGDADRA1DADRA1A | |
| SCHEMBL16343335 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL7766535 | 0.70 | ADRA1D (0.51) | ALDH1A1KMT2ATDP1ADRA1DADRA1A | |
| SCHEMBL16382440 | 0.70 | HRH3 (0.44) | KMT2AKDM4EHRH3AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316468-B1 | Phenylindole derivatives as 5-HT2A receptor antagonists | MERCK SHARP & DOHME LTD. | 2001-11-13 | — | — | US | disclosed |
| WO-1999011641-A1 | PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1999-03-11 | — | — | WO | disclosed |