Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10140 | 0.75 | BRD4 (0.60) | ABL1RAD52RIN1BRD4HTR2A | |
| SCHEMBL4708863 | 0.74 | PARP1 (0.54) | ABL1KDM4EALDH1A1GAAPARP1 | |
| SCHEMBL8621146 | 0.74 | PARP1 (0.54) | HTR2AHTR2BHTR1AHTR7HTR6 | |
| SCHEMBL30530533 | 0.74 | PARP1 (0.54) | HTR2AHTR2BHTR1AHTR7HTR6 | |
| SCHEMBL30734368 | 0.73 | ABL1 (0.56) | ABL1RAD52RIN1ABCG2BRD4 | |
| SCHEMBL29161408 | 0.73 | ABL1 (0.56) | ABL1RAD52RIN1ABCG2BRD4 | |
| SCHEMBL3051495 | 0.73 | PARP1 (0.63) | ABL1RAD52RIN1HPGDKDM4E | |
| SCHEMBL30688528 | 0.72 | ABCG2 (0.49) | ABCG2HTR2AHTR2BHPGDKDM4E | |
| SCHEMBL3579197 | 0.72 | ABCG2 (0.49) | ABCG2HTR2AHTR2BHPGDKDM4E | |
| Hydrochloric Acid SCHEMBL15711283 | 0.72 | PARP1 (0.61) | ABL1RAD52RIN1HPGDKDM4E |
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-0782570-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |
| WO-1993017682-A1 | ANGIOTENSIN II RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 1993-09-16 | — | — | WO | disclosed |