Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3478697 | 0.81 | RXRA (0.51) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL1847055 | 0.80 | TSHR (0.56) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL14119936 | 0.78 | TSHR (0.53) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL22656552 | 0.74 | POLB (0.50) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL29320880 | 0.74 | ABCB1 (0.44) | ALDH1A1HPGDKDM4EABCB1MAPT | |
| SCHEMBL20398155 | 0.73 | DDB1 (0.49) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL5697619 | 0.73 | DDB1 (0.49) | DDB1CRBNALDH1A1HPGDKDM4E | |
| SCHEMBL23515362 | 0.73 | ABCB1 (0.43) | KDM4EKMT2AMEN1ABCB1MAPT | |
| SCHEMBL29625728 | 0.73 | ABCB1 (0.43) | KDM4EKMT2AMEN1ABCB1MAPT | |
| SCHEMBL11735130 | 0.73 | PGR (0.43) | ALDH1A1HPGDKDM4EKMT2AHSD17B10 |
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-2321268-A2 | BI-ARYL AMINOTETRALINES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010018113-A2 | BI-ARYL AMINOTETRALINES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-18 | — | — | WO | disclosed |