Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11600851 | 0.90 | ALDH1A1 (0.46) | ALDH1A1CYP2C19HPGDCYP1A2CYP3A4 | |
| SCHEMBL11602662 | 0.87 | KMT2A (0.43) | ALDH1A1CYP2C19HPGDCYP1A2CYP3A4 | |
| SCHEMBL11600648 | 0.86 | ALDH1A1 (0.45) | ALDH1A1CYP2C19HPGDCYP1A2CYP3A4 | |
| SCHEMBL11599724 | 0.84 | MAPT (0.45) | ALDH1A1CYP2C19HPGDHTTSMN1; SMN2 | |
| SCHEMBL11599360 | 0.83 | AKR1C3 (0.41) | ALDH1A1HPGDHTTSMN1; SMN2NPSR1 | |
| SCHEMBL11600143 | 0.83 | RARB (0.47) | TP53 | |
| SCHEMBL11601880 | 0.81 | ESR1 (0.59) | — | |
| SCHEMBL11598774 | 0.81 | EPHX2 (0.41) | ALDH1A1CYP2C19HPGDCYP1A2CYP3A4 | |
| SCHEMBL11601933 | 0.80 | FABP3 (0.41) | ALDH1A1HPGDHTTCNR1CNR2 | |
| SCHEMBL29404931 | 0.78 | CNR2 (0.49) | ALDH1A1CYP2C19HPGDCYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4075227-A | NONSTEROIDAL | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |