Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GPX4 | P36969 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9247753 | 0.87 | SMN1; SMN2 (0.46) | ESR1ALDH1A1HPGDTDP1TAS1R3 | |
| SCHEMBL9246326 | 0.80 | HPGD (0.47) | ALDH1A1HPGDTDP1TAS1R3TAS1R1 | |
| SCHEMBL11129035 | 0.80 | PTGS2 (0.61) | ESR1CES2CES1PTGS2 | |
| SCHEMBL27872957 | 0.78 | HSD17B3 (0.56) | ALDH1A1CES2CES1TDP1MAPT | |
| SCHEMBL29175151 | 0.76 | HPGD (0.44) | ALDH1A1NPC1TP53GPX4RAB9A | |
| SCHEMBL3405445 | 0.74 | PTGS2 (0.69) | ESR1ESR2CES2CES1PTGS2 | |
| SCHEMBL3676101 | 0.73 | TAS1R3 (0.47) | ALDH1A1CES2CES1HPGDTDP1 | |
| SCHEMBL5271536 | 0.73 | TAS1R3 (0.47) | ALDH1A1CES2CES1HPGDTDP1 | |
| SCHEMBL19757453 | 0.72 | HSD17B3 (0.56) | ALDH1A1TDP1MAPT | |
| SCHEMBL30876516 | 0.72 | TDP1 (0.44) | ALDH1A1CES2CES1HPGDTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399284-B1 | Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds | BAYER AG (DE) | 1995-08-02 | — | — | EP | disclosed |
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |
| EP-0399284-A2 | Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |