Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Oleic Acid SCHEMBL15532857 | 0.82 | CNR1 (0.56) | RECQLKMT2AFFAR1PPARGPPARD | |
| SCHEMBL3104200 | 0.81 | PDE4B (0.90) | PDE4BKMT2AHDAC8HDAC1CA1 | |
| SCHEMBL3383941 | 0.81 | PDE4B (0.90) | PDE4BKMT2AHDAC8HDAC1CA1 | |
| SCHEMBL554922 | 0.80 | NR1I2 (1.00) | NR1I2ESR1RECQLKMT2ASMN1; SMN2 | |
| SCHEMBL554921 | 0.80 | NR1I2 (1.00) | NR1I2ESR1RECQLKMT2ASMN1; SMN2 | |
| SCHEMBL6232157 | 0.80 | NR1I2 (1.00) | NR1I2ESR1RECQLKMT2ASMN1; SMN2 | |
| SCHEMBL2413943 | 0.79 | PDE4B (0.93) | PDE4BKMT2AHDAC8HDAC1CA1 | |
| SCHEMBL9862530 | 0.79 | ALDH1A1 (0.63) | NR1I2ALDH1A1NPC1RAB9A | |
| SCHEMBL25303952 | 0.78 | NR1I2 (0.54) | NR1I2PDE4BHDAC8HDAC1CA1 | |
| SCHEMBL303214 | 0.78 | NR1I2 (0.54) | NR1I2PDE4BHDAC8HDAC1CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021414-A | Antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-06-24 | — | — | EP | disclosed |