Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7418231 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPTHTTTSHRPOLB | |
| SCHEMBL7789901 | 0.82 | TP53 (0.55) | ALDH1A1MAPTTP53HTTTSHR | |
| SCHEMBL735945 | 0.77 | ATM (0.59) | ALDH1A1TP53HTTCES2CES1 | |
| SCHEMBL10530983 | 0.77 | ALDH1A1 (0.57) | ALDH1A1TP53HTTMEN1KMT2A | |
| SCHEMBL10349935 | 0.74 | MEN1 (0.56) | ALDH1A1MAPTTSHRPOLBMEN1 | |
| SCHEMBL6338253 | 0.73 | TDP1 (0.58) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL1126476 | 0.72 | NPC1 (0.48) | ALDH1A1MAPTMEN1KMT2ACES2 | |
| SCHEMBL6176562 | 0.71 | CXCR2 (0.50) | ALDH1A1MAPTMEN1KMT2ACES2 | |
| SCHEMBL7417406 | 0.71 | ALDH1A1 (0.70) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL1418030 | 0.70 | CES2 (0.54) | ALDH1A1MAPTHTTPOLBMEN1 |
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-0885205-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2002-11-27 | — | — | EP | disclosed |
| EP-0885205-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997031910-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-09-04 | — | — | WO | disclosed |