Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699376 | 0.68 | HTR6 (0.43) | PARP1HTR6HCRTR1KMT2ATP53 | |
| SCHEMBL8699370 | 0.66 | PARP1 (0.41) | PARP1HTR6HCRTR1KMT2ATP53 | |
| SCHEMBL2997901 | 0.65 | KDM4E (0.58) | PARP1HTR6MAPK1MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27862604 | 0.64 | KDM4E (0.57) | PARP1HTR6MAPK1MAPTALDH1A1 | |
| SCHEMBL1161161 | 0.63 | KDM4E (0.54) | PARP1HTR6KMT2AMAPK1MAPT | |
| SCHEMBL29087055 | 0.61 | KDM4E (0.51) | PARP1HTR6MAPK1MAPTKDM4E | |
| SCHEMBL27771086 | 0.61 | MAPK1 (0.48) | HTR6TP53MAPK1ALOX15MAPT | |
| SCHEMBL8699367 | 0.61 | HTR6 (0.40) | PARP1HTR6TP53MAPTALDH1A1 | |
| SCHEMBL27947204 | 0.60 | PARP1 (1.00) | PARP1KDM4E | |
| SCHEMBL27750101 | 0.60 | MAPK1 (0.44) | HTR6TP53MAPK1ALOX15MAPT |
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-5741792-A | ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| US-5741799-A | ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-04-21 | — | — | US | disclosed |