Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.46 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL613343 | 0.82 | NPC1 (0.45) | NPC1RAB9APOLBNR2F2MAP3K14 | |
| SCHEMBL11450578 | 0.82 | MAP3K14 (0.47) | NPC1RAB9APOLBNR2F2MAP3K14 | |
| SCHEMBL29101883 | 0.80 | LMNA (0.51) | NPC1RAB9APOLBNR2F2ATM | |
| SCHEMBL26556782 | 0.80 | LMNA (0.51) | NPC1RAB9APOLBNR2F2ATM | |
| SCHEMBL5347179 | 0.80 | LMNA (0.51) | NPC1RAB9APOLBNR2F2ATM | |
| SCHEMBL11459462 | 0.80 | MAP3K14 (0.48) | NPC1RAB9APOLBNR2F2MAP3K14 | |
| SCHEMBL10237230 | 0.78 | NPC1 (0.45) | NPC1RAB9APOLBNR2F2MAP3K14 | |
| SCHEMBL9115267 | 0.78 | LMNA (0.49) | NPC1RAB9APOLBNR2F2MAP3K14 | |
| SCHEMBL24721011 | 0.77 | GRM5 (0.57) | GRM5 | |
| SCHEMBL31536113 | 0.77 | MAP3K14 (0.46) | NPC1RAB9APOLBNR2F2MAP3K14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |