Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CPN1 | P15169 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL27934254 | 0.89 | SLC6A1 (0.43) | KMT2AKDM4EMAPTATMCYP2D6 | |
| SCHEMBL27664282 | 0.89 | SLC6A1 (0.43) | KMT2AKDM4EMAPTATMCYP2D6 | |
| SCHEMBL27915636 | 0.89 | SLC6A1 (0.43) | KMT2AKDM4EMAPTATMCYP2D6 | |
| SCHEMBL27520063 | 0.84 | ALOX5 (0.37) | KMT2AEPHX1 | |
| SCHEMBL28664534 | 0.82 | LMNA (0.32) | ATMLMNA | |
| SCHEMBL9227258 | 0.82 | ALOX5 (0.39) | KMT2AMAPTATMEPHX1 | |
| SCHEMBL27615588 | 0.82 | KMT2A (0.42) | KMT2AKDM4EMAPTATMCYP2D6 | |
| SCHEMBL27766894 | 0.81 | ALOX5 (0.37) | KMT2AATM | |
| SCHEMBL27568926 | 0.80 | GABRA5 (0.34) | CPN1CPB2SLC6A1SLC6A11SLC6A13 | |
| Methyl Alcohol SCHEMBL27528171 | 0.78 | GABRA5 (0.33) | CPN1CPB2SLC6A1SLC6A11SLC6A13 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101090902-B | Cgrp receptor antagonists | MERCK SHARP & DOHME | 2013-05-29 | — | — | CN | disclosed |
| CN-101090902-A | Cgrp receptor antagonists | MERCK & CO INC (US) | 2007-12-19 | — | — | CN | disclosed |