Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 4/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986373 | 1.00 | NAMPT (0.49) | NAMPTCYP11B2CYP19A1ALDH1A1MAPT | |
| SCHEMBL11564387 | 0.85 | AKR1C3 (0.48) | ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A | |
| SCHEMBL11564392 | 0.85 | AKR1C3 (0.48) | ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A | |
| SCHEMBL10988156 | 0.82 | MAPT (0.49) | NAMPTCYP11B2CYP19A1ALDH1A1MAPT | |
| SCHEMBL10988151 | 0.82 | MAPT (0.49) | NAMPTCYP11B2CYP19A1ALDH1A1MAPT | |
| SCHEMBL30590604 | 0.76 | CYP11B2 (0.56) | NAMPTCYP11B2CYP19A1ALDH1A1MAPT | |
| SCHEMBL13447617 | 0.74 | PKM (0.40) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E | |
| SCHEMBL1583517 | 0.74 | MAPT (0.55) | CYP11B2CYP19A1ALDH1A1MAPTLMNA | |
| SCHEMBL8039279 | 0.74 | MAPT (0.59) | CYP11B2CYP19A1ALDH1A1MAPTLMNA | |
| SCHEMBL7127950 | 0.74 | MAPT (0.55) | CYP11B2CYP19A1ALDH1A1MAPTLMNA |
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-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |