Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.32 |
| ▸ | RELA | Q04206 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL12031024 | 0.72 | CES1 (0.39) | CYP1A2CYP2D6HIF1ACYP2C9CYP2C19 | |
| SCHEMBL30286791 | 0.72 | CYP19A1 (0.38) | CYP1A2CYP2D6HIF1ACYP2C9CYP2C19 | |
| SCHEMBL9174741 | 0.72 | CYP19A1 (0.38) | CYP1A2CYP2D6HIF1ACYP2C9CYP2C19 | |
| SCHEMBL8903120 | 0.66 | CYP19A1 (0.36) | CYP1A2CYP2D6HIF1ACYP2C9CYP2C19 | |
| SCHEMBL30617063 | 0.64 | DNMT1 (0.44) | CYP1A2CYP2C9CYP2C19ANPEPALDH1A1 | |
| SCHEMBL6759607 | 0.64 | DNMT1 (0.44) | CYP1A2CYP2C9CYP2C19ANPEPALDH1A1 | |
| SCHEMBL20113277 | 0.62 | CYP19A1 (0.43) | CYP19A1ANPEPALDH1A1DNMT1TSHR | |
| SCHEMBL1825039 | 0.62 | ACHE (0.49) | CYP19A1ANPEPDNMT1 | |
| SCHEMBL6215591 | 0.62 | ALDH1A1 (0.49) | ALDH1A1DNMT1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL793734 | 0.59 | PARP1 (0.49) | CYP1A2CYP2C19DNMT1KDM4E |
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-2012019106-A2 | POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2012-02-09 | — | — | WO | disclosed |