Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129150 | 1.00 | ABL1 (0.47) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL14544500 | 0.82 | ABL1 (0.44) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL9128537 | 0.80 | ABL1 (0.45) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL9128530 | 0.80 | ABL1 (0.45) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL9128931 | 0.79 | TYMP (0.36) | ABL1RIN1CYP1A2CYP2C19 | |
| SCHEMBL9128343 | 0.78 | ALDH1A1 (0.43) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL9128349 | 0.78 | ALDH1A1 (0.43) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL14544483 | 0.78 | LMNA (0.46) | ABL1RIN1ALDH1A1LMNAALB | |
| SCHEMBL23982436 | 0.77 | ADRB1 (0.49) | LMNA | |
| SCHEMBL9131109 | 0.77 | ALDH1A1 (0.45) | ABL1RIN1ALDH1A1LMNAALB |
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 |
|---|---|---|---|---|---|---|---|
| US-5446139-A | Purine analog nucleoside and nucleotide compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1995-08-29 | — | — | US | disclosed |
| EP-0666269-A2 | Nucleoside derivatives and their use as medicaments | Roche Diagnostics GmbH (DE) | 1995-08-09 | — | — | EP | disclosed |