Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAOB | P27338 | 4/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | P4HB | P07237 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24951715 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL28630576 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL10942203 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL10942199 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL9586253 | 0.79 | ALDH1A1 (0.70) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL11461960 | 0.77 | MAOB (0.68) | ALDH1A1MAOBCES2POLBNPSR1 | |
| SCHEMBL10275631 | 0.77 | AKT1 (0.54) | ALDH1A1MAOBNPSR1MEN1KMT2A | |
| SCHEMBL10439177 | 0.77 | AKT1 (0.54) | ALDH1A1MAOBNPSR1MEN1KMT2A | |
| SCHEMBL10275628 | 0.77 | AKT1 (0.54) | ALDH1A1MAOBNPSR1MEN1KMT2A | |
| SCHEMBL30786693 | 0.76 | CES2 (0.61) | ALDH1A1CES2POLBNPSR1TAS1R3 |
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-4521422-A | ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0129847-A2 | Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |