Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326629 | 0.81 | CYP1A2 (0.55) | NPC1RAB9ACHRM1MAPTKDM4E | |
| SCHEMBL28352297 | 0.79 | MAPT (0.72) | NPC1RAB9ACHRM1MAPTGRIN2B | |
| SCHEMBL2848085 | 0.79 | PDE10A (0.46) | MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL7034259 | 0.78 | GRIN2B (0.46) | NPC1RAB9ACHRM1MAPTGRIN2B | |
| SCHEMBL13181407 | 0.78 | LTB4R (0.56) | MAPTALDH1A1 | |
| SCHEMBL2313323 | 0.77 | CACNA1H (0.46) | MAPTHTTLMNACYP2C9HSD17B10 | |
| SCHEMBL7367495 | 0.76 | ALDH1A1 (0.58) | MAPTLMNATDP1ALDH1A1 | |
| SCHEMBL8324238 | 0.76 | GAA (0.67) | NPC1RAB9ACHRM1MAPTHTT | |
| SCHEMBL7265480 | 0.75 | POLB (0.60) | NPC1RAB9ACHRM1HTTSMN1; SMN2 | |
| SCHEMBL18765170 | 0.75 | GRIN2B (0.47) | NPC1RAB9ACHRM1MAPTGRIN2B |
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 |