Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10907233 | 0.87 | NR1D1 (0.48) | NR1D1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11392205 | 0.86 | NOTUM (0.48) | NR1D1ALDH1A1NOTUMKDM4E | |
| SCHEMBL27900298 | 0.85 | NR1D1 (0.45) | NR1D1ALDH1A1NOTUMTP53CYP1A2 | |
| SCHEMBL8429535 | 0.84 | PRKCD (0.48) | NR1D1ALDH1A1 | |
| SCHEMBL23343522 | 0.84 | NR1D1 (0.50) | NR1D1NOTUMTP53 | |
| SCHEMBL4959583 | 0.84 | NR1D1 (0.50) | NR1D1NOTUMTP53 | |
| SCHEMBL11821195 | 0.83 | NR1D1 (0.46) | NR1D1ALDH1A1NOTUMTP53BCL2 | |
| SCHEMBL12643017 | 0.83 | DRD4 (0.52) | NR1D1 | |
| SCHEMBL17461323 | 0.83 | NR1D1 (0.49) | NR1D1ALDH1A1NOTUMTP53KDM4E | |
| SCHEMBL13068180 | 0.83 | NR1D1 (0.49) | NR1D1NOTUMTP53BCL2BAD |
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-9763955-B2 | Methods and compositions for decreasing gastric emptying | PURDUE PHARMA L.P. (US) | 2017-09-19 | — | — | US | disclosed |
| WO-2017027710-A1 | ELECTRON DONOR FOR POLYOLEFIN POLYMERIZATION CATALYSTS AND USES THEREOF | W.R. GRACE & CO.-CONN. (US) | 2017-02-16 | — | — | WO | disclosed |
| WO-2014151393-A2 | CARBOXAMIDE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. (US) | 2014-09-25 | — | — | WO | disclosed |
| US-4260628-A | 2-Guanidinomethyl-indolines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-04-07 | — | — | US | disclosed |