Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | F2R | P25116 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28977334 | 0.79 | AKR1C3 (0.65) | AKR1C3AKR1C2AKR1C4PTGS1MTNR1A | |
| SCHEMBL5320731 | 0.79 | AKR1C3 (0.46) | MAPTKDM4EALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL28977349 | 0.79 | AKR1C3 (0.58) | MEN1KMT2AALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL28977330 | 0.79 | AKR1C3 (0.46) | MAPTKDM4EALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL6764463 | 0.76 | KMT2A (0.49) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8951254 | 0.76 | PLA2G4A (0.71) | — | |
| SCHEMBL31432746 | 0.75 | CDC25A (0.55) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL8175848 | 0.73 | CDK2 (0.46) | CYP1A2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL17871942 | 0.72 | L3MBTL1 (0.52) | MAPTMEN1KMT2AALDH1A1AKR1C3 | |
| SCHEMBL4229024 | 0.71 | LCK (0.43) | MEN1KMT2AALDH1A1NPSR1AKR1C3 |
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-2007075931-A2 | REACTIVE HETEROCYCLIC DERIVATIVES AND METHODS FOR THEIR SYNTHESIS AND USE | BIOSITE INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |