Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL23423425 | 0.95 | ALDH1A1 (0.48) | ALDH1A1EPHX1GAACA12CA1 | |
| SCHEMBL8041290 | 0.90 | ALDH1A1 (0.58) | ALDH1A1EPHX1GAAPKMHPGD | |
| SCHEMBL8044995 | 0.85 | CHRM5 (0.48) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8047476 | 0.85 | CHRM5 (0.48) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8030934 | 0.85 | TSHR (0.55) | ALDH1A1EPHX1GAATSHR | |
| SCHEMBL15700836 | 0.83 | GNAI3 (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8033603 | 0.81 | SIGMAR1 (0.43) | ALDH1A1 | |
| SCHEMBL13741426 | 0.81 | HPGD (0.54) | ALDH1A1EPHX1GAAPKMHPGD | |
| SCHEMBL13661593 | 0.80 | CARM1 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8044535 | 0.79 | SIGMAR1 (0.44) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013024895-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2013-02-21 | — | — | WO | disclosed |
| WO-2009071707-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |