Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 3/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3177646 | 0.85 | KIF11 (0.50) | KIF11TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL29755008 | 0.85 | KIF11 (0.50) | KIF11TAAR1PNMTENPP2LOXL2 | |
| SCHEMBL507652 | 0.85 | KIF11 (0.50) | KIF11TAAR1PNMTENPP2LOXL2 | |
| SCHEMBL4449174 | 0.84 | TAAR1 (0.70) | KIF11TAAR1LOXL2MAOBHTR2A | |
| SCHEMBL27317288 | 0.84 | ENPP2 (0.48) | KIF11TAAR1PNMTENPP2LOXL2 | |
| Hydrochloric Acid SCHEMBL31072779 | 0.83 | KIF11 (0.49) | KIF11TAAR1PNMTENPP2LOXL2 | |
| Hydrochloric Acid SCHEMBL3174854 | 0.83 | KIF11 (0.49) | KIF11TAAR1MAOBHTR2AHTR2C | |
| Benzylamine SCHEMBL28220475 | 0.83 | LOXL2 (0.58) | KIF11TAAR1PNMTLOXL2MAOB | |
| SCHEMBL18766215 | 0.82 | CYP1A2 (0.47) | TAAR1ENPP2HTR2AHTR2CHTR2B | |
| SCHEMBL1908518 | 0.82 | ENPP2 (0.50) | KIF11TAAR1PNMTENPP2LOXL2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1435933-A1 | 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003032970-A1 | 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2003-04-24 | — | — | WO | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| CN-1184423-A | Nodulisporic acid derivatives | MERCK & CO INC (US) | 1998-06-10 | — | — | CN | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |