Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16665268 | 0.84 | ALDH1A1 (0.44) | ALDH1A1RXRAKMT2AMEN1TSHR | |
| SCHEMBL4293536 | 0.82 | MTNR1A (0.50) | NPC1RAB9ALMNA | |
| SCHEMBL978334 | 0.80 | CA1 (0.50) | KMT2ANPC1RAB9ASMN1; SMN2CA1 | |
| SCHEMBL29460229 | 0.78 | ALDH1A1 (0.46) | ALDH1A1RXRAKMT2AMEN1TSHR | |
| SCHEMBL28686061 | 0.77 | KMT2A (0.40) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| 1,3,5-Trimethoxybenzene SCHEMBL28245468 | 0.73 | ALDH1A1 (0.65) | ALDH1A1RXRAKMT2AMEN1NPC1 | |
| SCHEMBL31034446 | 0.72 | ALDH1A1 (0.44) | ALDH1A1RXRAKMT2APOLBCA1 | |
| SCHEMBL4171297 | 0.71 | ALDH1A1 (0.42) | ALDH1A1RXRAKMT2AMEN1TSHR | |
| SCHEMBL14704069 | 0.70 | ALDH1A1 (0.52) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18612985 | 0.69 | ALDH1A1 (0.49) | ALDH1A1RXRAKMT2AMEN1TSHR |
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-6291504-B1 | POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES | DUPONT PHARMACEUTICALS COMPANY | 2001-09-18 | — | — | US | disclosed |