Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 5/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14704540 | 0.83 | RAD52 (0.51) | NOS1KDM4EMAPTTDP1NPC1 | |
| SCHEMBL6816554 | 0.69 | NOS1 (0.50) | NOS1KDM4EMAPTALDH1A1CYP1A2 | |
| SCHEMBL6819013 | 0.66 | NOS1 (0.56) | NOS1KDM4EMAPTTDP1ALDH1A1 | |
| SCHEMBL9350959 | 0.65 | RAD52 (0.66) | KDM4EMAPTTDP1NPC1RAD52 | |
| SCHEMBL3298289 | 0.61 | KCNH3 (0.73) | KDM4EMAPTRAD52ALDH1A1GAA | |
| SCHEMBL7549410 | 0.58 | CES1 (0.43) | ALDH1A1CYP3A4KMT2A | |
| SCHEMBL7549409 | 0.58 | CES1 (0.43) | ALDH1A1CYP3A4KMT2A | |
| SCHEMBL8047176 | 0.58 | NPSR1 (0.56) | RAD52GAASMN1; SMN2NPSR1APP | |
| SCHEMBL7242367 | 0.57 | KMT2A (0.58) | KDM4EMAPTRAD52ALDH1A1CYP1A2 | |
| SCHEMBL21118718 | 0.57 | BCHE (0.46) | KDM4EMAPTRAD52ALDH1A1GAA |
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-2013022919-A1 | P62-ZZ CHEMICAL INHIBITOR | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2013-02-14 | — | — | WO | disclosed |