Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | TERT | O14746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL19047126 | 0.79 | NCF1 (0.43) | KDM4ENCF1NOS3NOS2NOS1 | |
| SCHEMBL3808172 | 0.79 | KDM4E (0.43) | KDM4ENCF1NOS3NOS2NOS1 | |
| SCHEMBL8344113 | 0.79 | KDM4E (0.54) | KDM4ENOS3NOS2NOS1TERT | |
| SCHEMBL26694656 | 0.77 | KDM4E (0.42) | KDM4ENCF1NOS3NOS2NOS1 | |
| SCHEMBL7123829 | 0.75 | KDM4E (0.41) | KDM4ENCF1NOS3NOS2NOS1 | |
| SCHEMBL27062050 | 0.70 | KDM4E (0.37) | KDM4ENOS3NOS2NOS1IDO1 | |
| SCHEMBL15255166 | 0.70 | KDM4E (0.50) | KDM4ENOS3NOS2NOS1TERT | |
| SCHEMBL3670530 | 0.70 | LMNA (0.41) | KDM4ENOS3NOS2NOS1TERT | |
| SCHEMBL20346109 | 0.69 | KDM4E (0.50) | KDM4ETDP1IDO1ALDH1A1HPGD | |
| SCHEMBL9383607 | 0.68 | NCF1 (0.43) | KDM4ENCF1NOS3NOS2NOS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6414008-B1 | CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-07-02 | — | — | US | disclosed |