Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6950609 | 0.78 | PKM (0.71) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL8325860 | 0.76 | CHRM1 (0.58) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL31621378 | 0.70 | SMN1; SMN2 (0.52) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 | |
| SCHEMBL10946704 | 0.68 | CYP1A2 (0.74) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5659985 | 0.68 | FAAH (0.49) | CYP1A2CYP2C9CHRM1SMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL3717753 | 0.67 | ALDH1A1 (0.68) | CYP1A2CYP2C9CHRM1SMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL9007642 | 0.66 | POLB (0.47) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL8515964 | 0.66 | SMN1; SMN2 (0.58) | CHRM1TDP1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12409534 | 0.66 | ALDH1A1 (0.67) | CHRM1TDP1SMN1; SMN2KDM4EHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL8515314 | 0.66 | CHRM1 (0.48) | CYP1A2CYP2C9CHRM1TDP1SMN1; SMN2 |
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-0869787-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0869787-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024119-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |