Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13662212 | 0.75 | VKORC1 (0.42) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL13620387 | 0.74 | AR (0.36) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL27953290 | 0.63 | MEN1 (0.38) | ALDH1A1MEN1KMT2AGAAKDM4E | |
| SCHEMBL15274410 | 0.58 | CYP2C9 (0.44) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL11334292 | 0.58 | DPP4 (0.50) | ALDH1A1MEN1KMT2APOLBHPGD | |
| SCHEMBL559559 | 0.58 | TAAR1 (0.56) | ALDH1A1POLBHPGDLMNAHSD17B10 | |
| SCHEMBL45228 | 0.57 | LMNA (0.50) | ALDH1A1KDM4EPOLBHPGDLMNA | |
| Methyl Alcohol SCHEMBL5311361 | 0.57 | LMNA (0.50) | ALDH1A1MEN1KMT2APOLBHPGD | |
| SCHEMBL10525378 | 0.57 | L3MBTL1 (0.55) | MEN1KMT2ALMNACYP2C9CYP2C19 | |
| Phenol SCHEMBL5653416 | 0.56 | L3MBTL1 (0.50) | ALDH1A1POLBHPGDLMNACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009134616-A2 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-05 | — | — | WO | disclosed |