Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | HPD | P32754 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10652415 | 0.86 | CYP3A4 (0.48) | ALDH1A1KDM4ECYP3A4CYP2C9XBP1 | |
| SCHEMBL30695843 | 0.86 | CYP3A4 (0.48) | ALDH1A1KDM4ECYP3A4CYP2C9XBP1 | |
| SCHEMBL10653936 | 0.83 | MAPT (0.49) | ALDH1A1CYP3A4MAPTLMNAMEN1 | |
| SCHEMBL3601604 | 0.82 | CYP1A2 (0.58) | ALDH1A1KDM4EMAPTLMNAMEN1 | |
| SCHEMBL10511891 | 0.81 | CYP1A2 (0.47) | ALDH1A1KDM4ECYP3A4HPDMAPT | |
| SCHEMBL10511895 | 0.81 | CYP1A2 (0.47) | ALDH1A1KDM4ECYP3A4HPDMAPT | |
| SCHEMBL10652124 | 0.81 | MEN1 (0.44) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL10650486 | 0.80 | MAPT (0.53) | ALDH1A1KDM4ECYP3A4MAPTLMNA | |
| SCHEMBL13678600 | 0.79 | MAPK1 (0.53) | ALDH1A1KDM4ECYP3A4HPDMAPT | |
| SCHEMBL27956774 | 0.79 | HPD (0.48) | ALDH1A1KDM4ECYP3A4CYP2C9XBP1 |
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-4755509-A | Heterocyclic aldose reductase inhibitors and methods of using them | Carbipem (FR) | 1988-07-05 | — | — | US | disclosed |