Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995511 | 0.94 | MAPK1 (0.48) | LMNACYP3A4ACHECHRM1CYP1A2 | |
| SCHEMBL6998411 | 0.89 | IKBKB (0.43) | LMNACYP3A4ACHECHRM1CYP1A2 | |
| SCHEMBL6993668 | 0.86 | HSD17B10 (0.50) | CYP3A4ACHEKDM4EMEN1MAPT | |
| SCHEMBL7001398 | 0.80 | PIM1 (0.43) | LMNAKDM4EMEN1MAPTKMT2A | |
| SCHEMBL6991742 | 0.79 | GABRA1 (0.41) | LMNAKDM4EMEN1MAPTKMT2A | |
| SCHEMBL6995915 | 0.79 | GABRA1 (0.43) | LMNACYP3A4CYP1A2CYP2D6KDM4E | |
| SCHEMBL6999403 | 0.79 | LMNA (0.51) | LMNACYP3A4ACHECHRM1CYP1A2 | |
| SCHEMBL6998659 | 0.79 | ACP1 (0.42) | RAD52NPC1RAB9A | |
| SCHEMBL6997246 | 0.78 | CALCA (0.42) | LMNACYP3A4KDM4EMEN1MAPT | |
| SCHEMBL6990524 | 0.78 | ADORA1 (0.46) | LMNACYP1A2KDM4EMEN1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | claimed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | claimed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |