Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PPIB | P23284 | 1/20 | 0.36 |
| ▸ | PPIA | P62937 | 1/20 | 0.36 |
| ▸ | PPID | Q08752 | 1/20 | 0.36 |
| ▸ | PPIG | Q13427 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4812061 | 0.90 | CYP4F2 (0.36) | TAAR1 | |
| SCHEMBL7119771 | 0.85 | GFER (0.46) | GFERMAOBMAOACYP19A1TSHR | |
| SCHEMBL12458734 | 0.83 | CYP4F2 (0.33) | — | |
| SCHEMBL14156561 | 0.83 | CYP4F2 (0.33) | TAAR1 | |
| SCHEMBL8960954 | 0.83 | GFER (0.48) | GFERMAOBMAOACYP19A1TSHR | |
| SCHEMBL12458723 | 0.83 | CYP4F2 (0.33) | — | |
| SCHEMBL26185016 | 0.82 | GFER (0.52) | GFERMAOBMAOACYP19A1TSHR | |
| SCHEMBL29279782 | 0.81 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL15733742 | 0.81 | TAAR1 (0.41) | MAOBTAAR1 | |
| SCHEMBL927506 | 0.81 | CYP4F2 (0.32) | — |
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-20170114249-A1 | HEXAHYDROTRIAZINE HYBRID COATINGS FOR SULFUR CAPTURE | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2017-04-27 | — | — | US | disclosed |