Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 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 | |
|---|---|---|---|---|
| SCHEMBL5949999 | 1.00 | EPHX1 (0.48) | EPHX1TRPM8DRD2SMYD3NFKB1 | |
| SCHEMBL8408096 | 0.93 | EPHX1 (0.61) | EPHX1ALDH1A1 | |
| SCHEMBL7470486 | 0.92 | — | — | |
| SCHEMBL7788916 | 0.92 | SMYD3 (0.47) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| SCHEMBL18380884 | 0.92 | SMYD3 (0.47) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL3971132 | 0.90 | SMYD3 (0.46) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| SCHEMBL6483370 | 0.85 | EPHX2 (0.52) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| SCHEMBL22722037 | 0.85 | EPHX1 (0.46) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| SCHEMBL12513735 | 0.85 | EPHX1 (0.46) | EPHX1DRD2SMYD3NFKB1NFKB2 | |
| SCHEMBL8396643 | 0.84 | EPHX1 (0.53) | EPHX1NFKB1NFKB2RELAHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8791257-B2 | Substituted pyrrolotriazines as protein kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-29 | — | — | US | disclosed |