Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8845363 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL205737 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL482105 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL845299 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL845361 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL482813 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ADRB2ADRB1ADRB3MAPT | |
| SCHEMBL18191920 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL812745 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL7637417 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1ADRB2ADRB1 | |
| SCHEMBL18191935 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0822931-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | Takeda Chemical Industries, Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996033982-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |