Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29139680 | 0.81 | NPC1 (0.41) | EPHX1EPHX2MMP8MMP14CA14 | |
| SCHEMBL1555336 | 0.76 | MMP8 (0.53) | EPHX1EPHX2MMP8MMP14CA14 | |
| SCHEMBL736304 | 0.76 | MMP8 (0.53) | EPHX1EPHX2MMP8MMP14CA14 | |
| SCHEMBL733499 | 0.76 | MMP8 (0.53) | EPHX1EPHX2MMP8MMP14CA14 | |
| SCHEMBL6242825 | 0.74 | CASP1 (0.45) | EPHX1EPHX2CA9MEN1KMT2A | |
| SCHEMBL243227 | 0.74 | CASP1 (0.45) | EPHX1EPHX2CA9MEN1KMT2A | |
| SCHEMBL1140146 | 0.74 | MMP2 (0.46) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL4211263 | 0.74 | MMP2 (0.46) | MMP8MMP14CA14NPC1RAB9A | |
| SCHEMBL11196619 | 0.73 | MMP8 (0.50) | EPHX1EPHX2MMP8MMP14CA14 | |
| SCHEMBL11196634 | 0.73 | MMP8 (0.50) | EPHX1EPHX2MMP8MMP14CA14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017160709-A1 | WATER SOLUBLE HALOANILIDE CALCIUM-RELEASE CALCIUM CHANNEL INHIBITORY COMPOUNDS AND METHODS TO CONTROL BONE EROSION AND INFLAMMATION ASSOCIATED WITH ARTHRITIDES | WEST VIRGINIA UNIVERSITY (US) | 2017-09-21 | — | — | WO | claimed |