Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TET3 | O43151 | 1/20 | 0.44 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.44 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.44 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11736962 | 0.86 | NPC1 (0.45) | AKR1C1FFAR1APPKMT2AFFAR4 | |
| SCHEMBL31016196 | 0.82 | AKR1C1 (0.83) | AKR1C1KMT2ATET3FBXL19CXXC5 | |
| SCHEMBL6391 | 0.82 | AKR1C1 (0.83) | AKR1C1KMT2ATET3FBXL19CXXC5 | |
| Hydrochloric Acid SCHEMBL3866423 | 0.80 | AKR1C1 (0.79) | AKR1C1KMT2ATET3FBXL19CXXC5 | |
| SCHEMBL15386620 | 0.79 | AKR1C1 (0.50) | AKR1C1APPKMT2AMEN1TSHR | |
| SCHEMBL14709925 | 0.79 | AKR1C1 (0.50) | AKR1C1APPKMT2ATET3FBXL19 | |
| SCHEMBL343062 | 0.79 | AKR1C1 (0.64) | AKR1C1APPKMT2ATET3FBXL19 | |
| SCHEMBL11665752 | 0.76 | AKR1C1 (0.88) | AKR1C1KMT2ATET3FBXL19CXXC5 | |
| SCHEMBL2701618 | 0.75 | KMT2A (0.56) | AKR1C1KMT2ATET3FBXL19CXXC5 | |
| Phenol SCHEMBL28560131 | 0.75 | AKR1C1 (0.70) | AKR1C1APPKMT2ATET3FBXL19 |
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-4042584-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1977-08-16 | — | — | US | disclosed |