Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 3/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL8377538 | 0.81 | CYP2D6 (0.38) | CYP2D6USP2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8379385 | 0.78 | FEN1 (0.36) | CYP2D6USP2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8382712 | 0.77 | EGLN1 (0.39) | F10 | |
| SCHEMBL8382010 | 0.76 | EGLN1 (0.39) | F10TSHR | |
| SCHEMBL8382987 | 0.76 | F10 (0.38) | F10ALDH1A1 | |
| SCHEMBL27476670 | 0.75 | SCN9A (0.40) | CYP2D6USP2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27412209 | 0.75 | GLA (0.40) | CYP2D6USP2CYP3A4CYP1A2TSHR | |
| SCHEMBL8378813 | 0.75 | EGLN1 (0.38) | F10ALDH1A1 | |
| SCHEMBL8382018 | 0.75 | HDAC6 (0.35) | F10TSHRALDH1A1 | |
| SCHEMBL7005462 | 0.75 | TOP1 (0.42) | SLC6A7MGLLCYP2D6USP2CYP3A4 |
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-5889009-A | ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-30 | — | — | US | disclosed |
| US-5703081-A | CELL ADHESION INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-30 | — | — | US | disclosed |