Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | MAOA | P21397 | 1/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.68 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28658857 | 0.88 | NPC1 (0.70) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL2928400 | 0.86 | NPC1 (0.87) | MAPTNPC1RAB9ALMNAALDH1A1 | |
| SCHEMBL30275054 | 0.86 | PDPK1 (0.66) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL30275055 | 0.86 | PDPK1 (0.66) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL657581 | 0.86 | PDPK1 (0.66) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL5448807 | 0.85 | HPGD (0.80) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| SCHEMBL27628173 | 0.85 | RAB9A (0.69) | MAPTNPC1RAB9AALDH1A1TDP1 | |
| SCHEMBL1403565 | 0.84 | CYP1A2 (0.77) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| Nabumetone SCHEMBL3362072 | 0.84 | RAB9A (0.86) | MAPTNPC1RAB9AKDM4ECYP1A2 | |
| Nabumetone SCHEMBL3853067 | 0.81 | CYP1A2 (1.00) | MAPTNPC1RAB9AKDM4ECYP1A2 |
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-4142054-A | TRIVALENT THALLIUM SALT | THE UPJOHN COMPANY (US) | 1979-02-27 | — | — | US | disclosed |
| US-4135051-A | ENOL ETHER OF AN ARYL ALKYL KETONE WITH A THALLIJM SALT, REGENERATION OF THALLIUM SALT BY ADDING PERACID AND REACTIVE METAL COMPOUND | THE UPJOHN COMPANY (US) | 1979-01-16 | — | — | US | disclosed |
| US-4107439-A | Process for preparing arylalkanoic acid derivatives | THE UPJOHN COMPANY (US) | 1978-08-15 | — | — | US | disclosed |