Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL222110 | 0.79 | NPC1 (0.58) | ALDH1A1GAANPC1PKMRAB9A | |
| SCHEMBL29695306 | 0.79 | NPC1 (0.58) | ALDH1A1GAANPC1PKMRAB9A | |
| Bromide SCHEMBL27496198 | 0.78 | NPC1 (0.56) | ALDH1A1GAANPC1PKMRAB9A | |
| Propionic Acid SCHEMBL28871102 | 0.77 | GAA (0.50) | ALDH1A1GAANPC1PKMRAB9A | |
| SCHEMBL9847026 | 0.77 | KDM4E (0.49) | ALDH1A1GAANPC1PKMRAB9A | |
| Ethoxycarbonyl Group SCHEMBL27830700 | 0.76 | GAA (0.46) | ALDH1A1GAANPC1PKMRAB9A | |
| SCHEMBL7939509 | 0.76 | HDAC4 (0.48) | ALDH1A1RAB9ALMNACTSKMMP1 | |
| SCHEMBL7939513 | 0.76 | HDAC4 (0.48) | ALDH1A1RAB9ALMNACTSKMMP1 | |
| SCHEMBL28530616 | 0.75 | AAK1 (0.45) | ALDH1A1ATMLMNASYKCTSK | |
| Acetic Acid SCHEMBL28000447 | 0.75 | RAB9A (0.53) | GAANPC1PKMRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846833-B2 | Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same | LES LABORATORIES SERVIER (FR) | 2005-01-25 | — | — | US | disclosed |
| EP-1268429-B1 | VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME | SERVIER LAB (FR) | 2004-08-18 | — | — | EP | disclosed |