Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048463 | 0.86 | GRM5 (0.51) | GRM5MAOBMAOAKCNH2 | |
| SCHEMBL9303814 | 0.85 | ALDH1A1 (0.52) | GRM5MAOBMAOAFFAR1FFAR4 | |
| SCHEMBL5904234 | 0.80 | MAOB (0.48) | GRM5MAOBMAOAALDH1A1HPGD | |
| SCHEMBL6738643 | 0.80 | ALDH1A1 (0.48) | GRM5MAOBMAOAFFAR1FFAR4 | |
| SCHEMBL25047571 | 0.80 | SIGMAR1 (0.55) | KCNH2TAAR1ATM | |
| SCHEMBL27379751 | 0.79 | GRM5 (0.33) | GRM5KCNH2 | |
| SCHEMBL6256644 | 0.79 | FFAR1 (0.43) | GRM5MAOBMAOAFFAR1FFAR4 | |
| SCHEMBL9784188 | 0.79 | KCNH2 (0.50) | GRM5FFAR1FFAR4ALDH1A1HPGD | |
| SCHEMBL8041091 | 0.77 | PYCR1 (0.36) | KCNH2 | |
| SCHEMBL8042787 | 0.77 | PYCR1 (0.52) | MAOBTAAR1CYP2A6HTR2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0078145-B1 | RESOLUTION OF RACEMIC 5-PHENYL-2-PENTANOL | PFIZER INC. (US) | 1986-07-30 | — | — | EP | claimed |
| EP-2038278-A2 | THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE | Abbott Laboratories (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008002956-A2 | THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE | ABBOTT LABORATORIES (US) | 2008-01-03 | — | — | WO | disclosed |
| EP-1677789-A1 | ALKYNES I | AstraZeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| CN-1787996-A | Nitrogen-containing heterocyclic derivative and drug containing the same as active ingredient | ONO PHARMACEUTICAL CO (JP) | 2006-06-14 | — | — | CN | disclosed |
| WO-2005044266-A1 | ALKYNES I | ASTRAZENECA AB (SE) | 2005-05-19 | — | — | WO | disclosed |
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |
| CN-1135515-A | Liquid crystal alkynyl tolane compound, liquid crystal composition and liquid crystal display part | CHISSO CORP (JP) | 1996-11-13 | — | — | CN | disclosed |