Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL8947602 | 0.86 | GPR3 (0.32) | KCNH2GPR3 | |
| Pyrene SCHEMBL8947557 | 0.83 | GPR3 (0.33) | ALDH1A1KCNH2CYP1A2HPGDHSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL7601538 | 0.81 | GPR3 (0.39) | KCNH2GPR3CA12CA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8947526 | 0.81 | GPR3 (0.34) | KCNH2GPR3 | |
| Dibenzofuran SCHEMBL8947563 | 0.81 | SMN1; SMN2 (0.36) | ALDH1A1CYP1A2HPGDHSD17B10GPR3 | |
| P-Xylene SCHEMBL8947555 | 0.80 | GPR3 (0.38) | ALDH1A1KCNH2GPR3CA12CA1 | |
| Fluorene SCHEMBL8947571 | 0.75 | GPR3 (0.41) | ALDH1A1KCNH2CYP1A2HPGDHSD17B10 | |
| Anisole SCHEMBL8947547 | 0.75 | KCNH2 (0.39) | ALDH1A1KCNH2GPR3KEAP1 | |
| Isopropylbenzene SCHEMBL8947643 | 0.75 | GPR3 (0.35) | ALDH1A1GPR3 | |
| Sulfuric Acid SCHEMBL10932188 | 0.71 | CYP2A6 (0.71) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5565500-A | CURED PRODUCT OBTAINED BY HEATING MIXTURE OF EPOXY RESIN, VINYL ETHER OR VINYL ESTER, IRON-CONTAINING METALLOCENE | CIBA-GEIGY CORPORATION (US) | 1996-10-15 | — | — | US | disclosed |
| US-5371259-A | Photoinitiators | CIBA-GEIGY CORPORATION (US) | 1994-12-06 | — | — | US | disclosed |
| US-4957946-A | FERROCENE TYPE COMPLEXES, EPOXY RESINS, VINYL ETHERS AND VINYL ESTERS | CIGA-GEIGY CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |