Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 3/20 | 0.43 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.43 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.43 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.43 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4976545 | 0.85 | NPC1 (0.50) | ALDH1A1PKMNPC1RAB9ALMNA | |
| SCHEMBL4978405 | 0.84 | SMN1; SMN2 (0.50) | ALDH1A1PKMNPC1RAB9ALMNA | |
| SCHEMBL4976756 | 0.84 | HDAC6 (0.57) | ABCG2ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL4981793 | 0.82 | CSNK1D (0.56) | ALDH1A1PKMNPC1RAB9ALMNA | |
| SCHEMBL4978799 | 0.82 | NPC1 (0.60) | ABCG2ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL12217716 | 0.81 | ALDH1A1 (0.60) | ABCG2ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL8029800 | 0.79 | HDAC6 (0.43) | NPC1RAB9AIDH1KDM4EHDAC6 | |
| SCHEMBL8029974 | 0.78 | ALDH1A1 (0.55) | ALDH1A1PKMLMNAKMT2AMEN1 | |
| SCHEMBL6159759 | 0.77 | KMT2A (0.58) | ALDH1A1PKMNPC1RAB9ALMNA | |
| SCHEMBL209281 | 0.77 | ALDH1A1 (0.54) | ALDH1A1PKMNPC1RAB9ALMNA |
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-1060166-A1 | FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS | Boehringer Ingelheim Pharma KG (DE) | 2000-12-20 | — | — | EP | disclosed |
| US-6114532-A | ANTICOAGULANT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-05 | — | — | US | disclosed |
| WO-1999040072-A1 | FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-08-12 | — | — | WO | disclosed |