Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3523783 | 0.82 | TAAR1 (0.57) | TAAR1LTA4HPLA2G2ASMN1; SMN2TBXAS1 | |
| SCHEMBL31483009 | 0.82 | TAAR1 (0.57) | TAAR1LTA4HPLA2G2ASMN1; SMN2TBXAS1 | |
| Hydrochloric Acid SCHEMBL1622348 | 0.81 | TAAR1 (0.55) | TAAR1LTA4HPLA2G2APRSS1TBXAS1 | |
| Bromide SCHEMBL3907833 | 0.81 | TAAR1 (0.55) | TAAR1LTA4HPLA2G2ASMN1; SMN2TBXAS1 | |
| SCHEMBL232756 | 0.81 | TAAR1 (0.66) | TAAR1LTA4HPLA2G2ASMN1; SMN2PRSS1 | |
| SCHEMBL9107098 | 0.80 | TAAR1 (0.70) | TAAR1LTA4HPLA2G2AROCK2PRKACA | |
| SCHEMBL27233671 | 0.78 | TP53 (0.53) | LTA4HSMN1; SMN2KDM4E | |
| SCHEMBL233812 | 0.77 | TAAR1 (0.50) | TAAR1LTA4HPLA2G2ATBXAS1 | |
| SCHEMBL232658 | 0.77 | TAAR1 (0.46) | TAAR1LTA4HPLA2G2ASMN1; SMN2 | |
| SCHEMBL236303 | 0.76 | TAAR1 (0.49) | TAAR1LTA4HPLA2G2AROCK2PRKACA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103664637-A | Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders | ACUCELA INC | 2014-03-26 | — | — | CN | claimed |
| CN-105541769-A | Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders | ACUCELA INC | 2016-05-04 | — | — | CN | disclosed |
| CN-103664637-B | Be used for the treatment of ophthalmic diseases and disorderly alkynyl phenyl derivative compounds | ACUCELA INC. (US) | 2016-02-03 | — | — | CN | disclosed |
| CN-103664637-A | Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders | ACUCELA INC | 2014-03-26 | — | — | CN | disclosed |