Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.56 |
| ▸ | CCND1 | P24385 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1031910 | 0.85 | NPC1 (0.59) | CDK4CCND1NPC1RAB9AMEN1 | |
| SCHEMBL1030212 | 0.81 | NPC1 (0.61) | CDK4CCND1NPC1RAB9AMEN1 | |
| SCHEMBL1033446 | 0.78 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL1028192 | 0.77 | HIF1A (0.47) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL1029726 | 0.76 | PTGS2 (0.52) | CDK4CCND1KMT2AACHEMAPT | |
| SCHEMBL1032472 | 0.75 | CDK4 (0.62) | CDK4CCND1 | |
| SCHEMBL24273323 | 0.74 | SIRT1 (0.62) | CDK4CCND1NPC1RAB9AMEN1 | |
| SCHEMBL1028264 | 0.74 | CACNA1G (0.47) | MEN1KMT2AACHEBCHENPSR1 | |
| SCHEMBL1028662 | 0.73 | LMNA (0.48) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL6394942 | 0.73 | MEN1 (0.76) | CDK4CCND1NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035375-B1 | 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-01-19 | — | — | EP | claimed |