Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7033466 | 0.85 | CYP1A2 (0.35) | MAPTHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10978113 | 0.85 | CYP2D6 (0.41) | MAPTHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10977065 | 0.82 | SMN1; SMN2 (0.34) | CA14SMN1; SMN2ALDH1A1 | |
| SCHEMBL7024271 | 0.80 | CYP1A2 (0.48) | MAPTHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL7024731 | 0.79 | LMNA (0.33) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL18099944 | 0.78 | CA14 (0.36) | MAPTHSD17B10CA14SMN1; SMN2ALDH1A1 | |
| SCHEMBL16847765 | 0.78 | KIF11 (0.39) | MAPTHSD17B10CA14SMN1; SMN2ALDH1A1 | |
| SCHEMBL7034368 | 0.78 | CYP1A2 (0.37) | HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10976993 | 0.77 | — | — | |
| SCHEMBL11601127 | 0.76 | CYP2C19 (0.36) | MAPTCA14ALDH1A1 |
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-0298543-B1 | THIAPENTANAMIDE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-09-29 | — | — | EP | disclosed |
| US-5153330-A | Thiapentanamide derivatives | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) | 1992-10-06 | — | — | US | disclosed |
| EP-0298543-A2 | Thiapentanamide derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-01-11 | — | — | EP | disclosed |