Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892158 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4ETSHRHTR6 | |
| SCHEMBL8891675 | 0.76 | PTGS2 (0.33) | ALDH1A1MAPTKDM4EPTGS2PIN1 | |
| SCHEMBL27678897 | 0.75 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EHTR6MEN1 | |
| SCHEMBL8892495 | 0.71 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ETSHRMEN1 | |
| SCHEMBL1167223 | 0.70 | MAPK13 (0.50) | ALDH1A1MAPTKDM4ETSHRCYP2C19 | |
| SCHEMBL1167117 | 0.67 | RXRA (0.46) | ALDH1A1MAPTTSHRKMT2ASMN1; SMN2 | |
| SCHEMBL11741106 | 0.66 | P2RX3 (0.44) | ALDH1A1MAPTKDM4ETSHRMEN1 | |
| SCHEMBL287238 | 0.66 | ALDH1A1 (0.33) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| (Phenylsulfonyl)Benzene SCHEMBL29058880 | 0.65 | HTR6 (0.74) | ALDH1A1MAPTKDM4ETSHRHTR6 | |
| (Phenylsulfonyl)Benzene SCHEMBL2381369 | 0.65 | HTR6 (0.74) | ALDH1A1MAPTKDM4ETSHRHTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1938273-B | Tetrahydrocarbazoles and derivatives | HOFFMAN-LA ROCHE LTD. (CH) | 2011-12-14 | — | — | CN | disclosed |
| CN-1938273-A | Tetrahydrocarbazoles and derivatives | HOFFMANN LA ROCHE (CH) | 2007-03-28 | — | — | CN | disclosed |
| WO-1997024340-A1 | OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |