Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27590403 | 0.92 | NR1H4 (0.54) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL1716479 | 0.82 | NR1H4 (0.71) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL12267916 | 0.82 | NR1H4 (0.57) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL25536723 | 0.81 | NR1H4 (0.44) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL5936015 | 0.80 | EPHX1 (0.55) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL29774000 | 0.80 | NR1H4 (0.69) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL11854697 | 0.78 | NR1H4 (0.50) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| Water SCHEMBL28998624 | 0.78 | NR1H4 (0.67) | NR1H4AKR1C3AKR1C2LMNAALDH1A1 | |
| SCHEMBL11810466 | 0.78 | NR1H4 (0.54) | NR1H4AKR1C3AKR1C2HDAC1LMNA | |
| SCHEMBL28362610 | 0.78 | NR1H4 (0.58) | NR1H4AKR1C3AKR1C2HDAC1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |