Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10651799 | 0.88 | ALDH1A1 (0.49) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL27778996 | 0.88 | PDK1 (0.49) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL10651256 | 0.82 | TDP1 (0.45) | PDK1ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL5150129 | 0.81 | MAPK1 (0.50) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL5996591 | 0.81 | MAPK1 (0.50) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL5996588 | 0.81 | MAPK1 (0.50) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL10019193 | 0.80 | PDK1 (0.58) | PDK1ALDH1A1SMN1; SMN2MAPK1TSHR | |
| SCHEMBL5997466 | 0.78 | LMNA (0.55) | PDK1ALDH1A1MAPK1TSHRVCAM1 | |
| SCHEMBL5997474 | 0.78 | LMNA (0.55) | PDK1ALDH1A1MAPK1TSHRVCAM1 | |
| SCHEMBL5997462 | 0.78 | LMNA (0.55) | PDK1ALDH1A1MAPK1TSHRVCAM1 |
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 |