Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862466 | 1.00 | PTGS1 (0.53) | PTGS1AKR1C3AKR1C2CYP11B1CYP11B2 | |
| SCHEMBL9862564 | 0.92 | FFAR1 (0.50) | PTGS1AKR1C3AKR1C2KDM4ESMN1; SMN2 | |
| SCHEMBL9862517 | 0.90 | FFAR1 (0.51) | PTGS1AKR1C3AKR1C2KDM4ESMN1; SMN2 | |
| SCHEMBL9862577 | 0.87 | ALDH1A1 (0.45) | PTGS1AKR1C3AKR1C2PPARGKDM4E | |
| SCHEMBL9862381 | 0.87 | ALDH1A1 (0.45) | PTGS1AKR1C3AKR1C2PPARGKDM4E | |
| SCHEMBL9862689 | 0.85 | CYP4F2 (0.45) | KDM4ESMN1; SMN2ALDH1A1FFAR1NPC1 | |
| SCHEMBL10451931 | 0.85 | FFAR1 (0.48) | KDM4ESMN1; SMN2FFAR1NPC1LMNA | |
| SCHEMBL9862524 | 0.83 | FFAR4 (0.40) | PTGS1AKR1C3AKR1C2SMN1; SMN2FFAR1 | |
| SCHEMBL10452177 | 0.81 | FFAR1 (0.44) | PTGS1AKR1C3AKR1C2KDM4EPOLB | |
| SCHEMBL9863683 | 0.81 | CYP3A4 (0.48) | KDM4ESMN1; SMN2ALDH1A1LMNACYP1A2 |
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 5 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 |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |