Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL10666257 | 0.76 | ALDH1A1 (0.45) | KMT2ARAB9AMEN1NPC1SLC5A1 | |
| SCHEMBL7312644 | 0.75 | MAPT (0.51) | KMT2AMEN1ALDH1A1LMNAKDM4E | |
| SCHEMBL10823922 | 0.72 | ALDH1A1 (0.41) | KMT2ARAB9AMEN1NPC1SLC5A1 | |
| SCHEMBL9478016 | 0.71 | TDP1 (0.44) | KMT2ARAB9AMEN1NPC1ALDH1A1 | |
| SCHEMBL10667981 | 0.67 | KCNH2 (0.43) | KMT2AMEN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL10823996 | 0.66 | CACNA1F (0.64) | KMT2AMEN1LMNACYP1A2CACNA1F | |
| SCHEMBL10823943 | 0.63 | CACNA1C (0.70) | KMT2AALDH1A1LMNAKDM4ECYP1A2 | |
| SCHEMBL15522549 | 0.62 | KMT2A (0.55) | KMT2AMEN1ALDH1A1LMNAKDM4E | |
| SCHEMBL10823908 | 0.62 | CYP1A2 (0.81) | KMT2AMEN1ALDH1A1LMNAKDM4E | |
| SCHEMBL10823913 | 0.62 | CACNA1D (0.81) | KMT2AALDH1A1LMNAKDM4ECYP1A2 |
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-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | claimed |