Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10576097 | 0.90 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2KDM4EAKR1B1MAPT | |
| SCHEMBL10691559 | 0.80 | AKR1B1 (0.42) | ALDH1A1SMN1; SMN2AKR1B1MAPTTP53 | |
| SCHEMBL10568779 | 0.80 | AKR1B1 (0.40) | ALDH1A1SMN1; SMN2KDM4EAKR1B1MAPT | |
| SCHEMBL10568789 | 0.79 | AKR1B1 (0.39) | ALDH1A1SMN1; SMN2KDM4EAKR1B1MAPT | |
| SCHEMBL10574012 | 0.77 | AKR1B1 (0.40) | ALDH1A1SMN1; SMN2AKR1B1MAPTTP53 | |
| SCHEMBL10570168 | 0.74 | AKR1B1 (0.37) | ALDH1A1SMN1; SMN2AKR1B1MAPTTP53 | |
| SCHEMBL9832441 | 0.74 | MAPT (0.41) | ALDH1A1SMN1; SMN2KDM4EAKR1B1MAPT | |
| SCHEMBL10574034 | 0.73 | ADCY8 (0.52) | ALDH1A1SMN1; SMN2MAPTKMT2AADCY8 | |
| SCHEMBL9773670 | 0.73 | HRH3 (0.40) | ALDH1A1SMN1; SMN2KDM4EAKR1B1MAPT | |
| SCHEMBL10570606 | 0.73 | AKR1B1 (0.37) | ALDH1A1SMN1; SMN2AKR1B1MAPTKMT2A |
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-4870077-A | INOTROPIC, HKYPOTENSIVE, CARDIOTONIC | BOEHRINGER MANNHEIM GMBH (DE) | 1989-09-26 | — | — | US | disclosed |
| EP-0259871-A1 | Indolinones substituted by heterocycles, process for their preparation and medicines containing them | Roche Diagnostics GmbH (DE) | 1988-03-16 | — | — | EP | disclosed |