Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31049777 | 1.00 | METAP2 (0.51) | METAP2CYP2A6TRPV1SMONOS3 | |
| SCHEMBL11927612 | 0.81 | CCR1 (0.56) | METAP2CYP2A6TRPV1NOS3NOS1 | |
| SCHEMBL28453842 | 0.79 | METAP2 (0.51) | METAP2CYP2A6TRPV1SMONOS3 | |
| SCHEMBL26422208 | 0.78 | CCR1 (0.35) | CYP2A6NPC1MAPK1RAB9ATP53 | |
| SCHEMBL4383276 | 0.78 | S1PR1 (0.37) | NPC1MAPK1RAB9ATP53KDM4E | |
| SCHEMBL10112296 | 0.76 | TRPV1 (0.64) | METAP2CYP2A6TRPV1NOS3NOS1 | |
| SCHEMBL29531176 | 0.75 | KDM4E (0.60) | METAP2CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL230048 | 0.75 | KDM4E (0.60) | METAP2CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL2005454 | 0.74 | IDO1 (0.46) | METAP2NPC1MAPK1RAB9ATP53 | |
| SCHEMBL17992229 | 0.73 | COMT (0.40) | NPC1MAPK1RAB9AKDM4EALDH1A1 |
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-2024166133-A1 | LIGAND SCAFFOLD FOR PROXIMAL & REMOTE BORYLATION OF ARENES | CENTRE OF BIOMEDICAL RESEARCH (IN) | 2024-08-15 | — | — | WO | disclosed |