Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3888886 | 0.85 | CALM1 (0.50) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL9856631 | 0.80 | CALM1 (0.45) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL5705619 | 0.80 | — | — | |
| SCHEMBL2590581 | 0.79 | KCNH2 (0.42) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL3508188 | 0.76 | MAOB (0.42) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL10960997 | 0.76 | IDO1 (0.43) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL3633156 | 0.76 | FFAR1 (0.44) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL3397750 | 0.76 | CYP1A2 (0.58) | FFAR1FFAR4ALDH1A1SIGMAR1CYP1A2 | |
| SCHEMBL1453870 | 0.76 | CALM1 (0.41) | CALM1FFAR1FFAR4KCNH2TSHR | |
| SCHEMBL185558 | 0.76 | TP53 (0.43) | CALM1FFAR1FFAR4KCNH2TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951179-B1 | SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS | MERCK PATENT GMBH (DE) | 2020-03-11 | — | — | EP | claimed |
| CN-110845294-B | Synthesis method of 1, 1-dihalogen-1-butene-3-alkyne compound | 浙江工业大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-110845294-A | Synthesis method of 1, 1-dihalogen-1-butene-3-alkyne compound | 浙江工业大学 | 2020-02-28 | — | — | CN | disclosed |
| EP-1119543-B1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | ORTHO MCNEIL PHARM INC (US) | 2004-12-15 | — | — | EP | disclosed |
| EP-1119543-A1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-08-01 | — | — | EP | disclosed |
| US-6201025-B1 | FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-03-13 | — | — | US | disclosed |
| WO-2000020376-A1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-04-13 | — | — | WO | disclosed |