Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8305122 | 0.78 | CYP2C19 (0.56) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL6753453 | 0.76 | CYP2C19 (0.54) | CYP2C19ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL723068 | 0.76 | CYP2C19 (0.58) | CYP2C19ALDH1A1SMN1; SMN2HPGDHTT | |
| SCHEMBL253781 | 0.75 | CYP2C19 (0.72) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL7302765 | 0.74 | SMN1; SMN2 (0.40) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL13315850 | 0.74 | HPGD (0.60) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL9217829 | 0.73 | ALDH1A1 (0.47) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL5144954 | 0.72 | ALDH1A1 (0.51) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL2585841 | 0.71 | ALDH1A1 (0.45) | CYP2C19ALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL8304558 | 0.71 | TSHR (0.54) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| JP-9136873-A | — | — | None | — | — | JP | disclosed |
| JP-H09136873-A | ALKYLTHIOBUTANOIC ACID DERIVATIVE AND AGENT FOR NEPHROPATHY | FUJI CHEM IND CO LTD | 1997-05-27 | — | — | JP | disclosed |