Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | JMJD6 | Q6NYC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18054255 | 0.85 | NOTUM (0.41) | NOTUMACACBTP53ALDH1A1KDM4E | |
| SCHEMBL23397289 | 0.84 | ACACB (0.36) | ACACBTP53HPGDFFAR4LMNA | |
| SCHEMBL20227221 | 0.81 | NOTUM (0.38) | NOTUMTP53ALDH1A1KDM4EHPGD | |
| SCHEMBL20224063 | 0.81 | NOTUM (0.38) | NOTUMTP53ALDH1A1KDM4EHPGD | |
| SCHEMBL18054201 | 0.77 | CYP19A1 (0.37) | FFAR4PTGER4LMNACYP1A2JMJD6 | |
| SCHEMBL20224097 | 0.74 | L3MBTL1 (0.34) | ALDH1A1KDM4ELMNACYP1A2JMJD6 | |
| SCHEMBL18052988 | 0.72 | PTGER4 (0.35) | ACACBFFAR4PTGER4 | |
| SCHEMBL18052951 | 0.70 | ALDH1A1 (0.36) | ACACBTP53ALDH1A1HPGDHSD17B10 | |
| SCHEMBL20224079 | 0.69 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL20224068 | 0.68 | KMT2A (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 |
|---|---|---|---|---|---|---|---|
| WO-2016138527-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIOSCIENCE, INC. (US) | 2016-09-01 | — | — | WO | disclosed |