Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858136 | 0.82 | AR (0.52) | ARCYP1A2CYP2A6TSHRNPC1 | |
| SCHEMBL240495 | 0.79 | AR (0.55) | ARCYP1A2TSHRNPC1RAB9A | |
| SCHEMBL29986356 | 0.79 | AR (0.59) | ARCYP1A2NPC1RAB9AMEN1 | |
| SCHEMBL29986507 | 0.78 | AR (0.54) | ARCYP1A2TSHRNPC1RAB9A | |
| SCHEMBL29986008 | 0.77 | AR (0.57) | ARCYP1A2NPC1RAB9AMEN1 | |
| SCHEMBL14505862 | 0.76 | AR (0.49) | ARCYP1A2TSHRNPC1RAB9A | |
| SCHEMBL29986181 | 0.76 | AR (0.53) | ARCYP1A2CYP2A6TSHRNPC1 | |
| SCHEMBL20407011 | 0.76 | TSHR (0.44) | CYP1A2CYP2A6TSHRNPC1RAB9A | |
| SCHEMBL21130425 | 0.76 | CD274 (0.54) | ARCYP1A2NPC1RAB9AMEN1 | |
| SCHEMBL4788772 | 0.76 | AR (0.64) | ARCYP1A2NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0278543-B1 | PROCESS AND COMPOSITION FOR INHIBITING HIGH-TEMPERATURE IRON AND STEEL CORROSION | PUMPTECH N.V. (BE) | 1992-09-23 | — | — | EP | disclosed |