Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9249689 | 0.82 | PARP1 (0.46) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| SCHEMBL9688878 | 0.80 | ALDH1A1 (0.46) | HPGDPOLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9243121 | 0.79 | PARP1 (0.43) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| SCHEMBL5309099 | 0.76 | TDP1 (0.53) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| SCHEMBL9246326 | 0.72 | HPGD (0.47) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| SCHEMBL10419259 | 0.70 | PARP1 (0.52) | TDP1HPGDHDAC8HDAC6PARP1 | |
| SCHEMBL10802540 | 0.70 | PARP1 (0.52) | TDP1HPGDHDAC8HDAC6PARP1 | |
| SCHEMBL9247753 | 0.69 | SMN1; SMN2 (0.46) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| SCHEMBL1024675 | 0.68 | TDP1 (0.51) | TDP1HPGDHDAC8HDAC6TAS1R3 | |
| M-Xylene SCHEMBL28804580 | 0.68 | ACHE (0.57) | TDP1HPGDTAS1R3TAS1R1PARP1 |
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 |