Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CACNA1H | O95180 | 7/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18571103 | 0.80 | TP53 (0.40) | KCNH2TP53TAAR1CYP2A6LPL | |
| SCHEMBL19194397 | 0.80 | CCR9 (0.40) | KCNH2TP53TAAR1CYP2A6LPL | |
| SCHEMBL19360668 | 0.77 | OPRM1 (0.37) | KCNH2TP53TAAR1CYP2A6LPL | |
| SCHEMBL22918343 | 0.76 | PRKAB2 (0.36) | KCNH2TP53TAAR1CYP2A6LPL | |
| SCHEMBL31558516 | 0.76 | KCNH2 (0.65) | KCNH2CACNA1HCACNA1GCACNA1I | |
| SCHEMBL17316710 | 0.76 | KCNH2 (0.49) | KCNH2CACNA1HCACNA1GCACNA1IALDH1A1 | |
| SCHEMBL13351707 | 0.76 | KCNH2 (0.47) | KCNH2CACNA1H | |
| SCHEMBL22593719 | 0.75 | EPHX1 (0.38) | KCNH2TP53TAAR1CYP2A6LPL | |
| SCHEMBL16593763 | 0.75 | RAB9A (0.37) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL31558427 | 0.74 | KCNH2 (0.55) | KCNH2CACNA1HCACNA1GCACNA1I |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160194316-A1 | SUBSTITUTED BENZENE COMPOUNDS | Epizyme, Inc. | 2016-07-07 | — | — | US | disclosed |
| US-20160031907-A1 | Substituted Benzene Compounds | Epizyme, Inc. | 2016-02-04 | — | — | US | disclosed |
| US-20160024081-A1 | Substituted 6,5-Fused Bicyclic Heteroaryl Compounds | Epizyme, Inc. | 2016-01-28 | — | — | US | disclosed |
| US-20110301145-A1 | PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF | Gilead Connecticut INc. (US) | 2011-12-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110301145-A1 | PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF | BTK, SYK, LCK | KCNH2 2252/4885CACNA1H 4391/4885TP53 2968/4885 |
| US-20160024081-A1 | Substituted 6,5-Fused Bicyclic Heteroaryl Compounds | CYP3A5, PAICS, CYP4B1 | KCNH2 2979/4885CACNA1H 4648/4885TP53 32/4885 |
| US-20160031907-A1 | Substituted Benzene Compounds | CYP1B1, CYP4B1, CYP2B6 | KCNH2 1446/4885CACNA1H 3612/4885TP53 11/4885 |
| US-20160194316-A1 | SUBSTITUTED BENZENE COMPOUNDS | CYP1B1, TP53, VHL | KCNH2 1223/4885CACNA1H 3545/4885TP53 2/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.