Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | APEX1 | P27695 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5083037 | 0.79 | GPR35 (0.39) | GPR35CTSBALDH1A1MAPTHPGD | |
| SCHEMBL5373508 | 0.78 | GPR35 (0.38) | GPR35CTSBALDH1A1MAPTHPGD | |
| SCHEMBL4860514 | 0.78 | HPGD (0.38) | ALDH1A1MAPTHPGDNPC1LMNA | |
| SCHEMBL8069994 | 0.76 | ALDH1A1 (0.46) | GPR35ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL2522993 | 0.73 | HTR1A (0.40) | — | |
| SCHEMBL11148838 | 0.72 | ALDH1A1 (0.35) | GPR35CTSBALDH1A1MAPTHPGD | |
| SCHEMBL11240607 | 0.72 | GAA (0.36) | GPR35CTSBALDH1A1MAPTHPGD | |
| SCHEMBL1159441 | 0.71 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL27411787 | 0.71 | HSP90AA1 (0.39) | ALDH1A1MAPTHPGDNPC1LMNA | |
| SCHEMBL532322 | 0.70 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDNPC1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786459-B1 | Process for the preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INT RES (NL) | 2002-08-28 | — | — | EP | disclosed |
| US-5948909-A | BLOCKING; CYCLIZATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1999-09-07 | — | — | US | disclosed |
| EP-0786459-A1 | Process for the preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1997-07-30 | — | — | EP | disclosed |