Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL18284894 | 0.71 | DHFR (0.42) | TDP1DHFRSRCKDRXDH | |
| SCHEMBL31013386 | 0.70 | NOTUM (0.43) | TDP1DHFRSRCKDRXDH | |
| SCHEMBL11058394 | 0.69 | PI4KA (0.34) | TDP1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL8845189 | 0.66 | TDP1 (0.45) | TDP1DHFRCDK2SRCKDR | |
| SCHEMBL6603766 | 0.66 | ALOX15B (0.46) | TDP1DHFRCYP11B2XDHKIF11 | |
| SCHEMBL28281841 | 0.65 | DHFR (0.49) | DHFRCDC7CDK2LCKKIT | |
| SCHEMBL11060314 | 0.65 | PI4KA (0.49) | TDP1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28848076 | 0.65 | JAK2 (0.43) | TDP1DHFRCDK2SRCKDR | |
| SCHEMBL30723122 | 0.63 | HTT (0.68) | KDRCYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL29145142 | 0.63 | HTT (0.68) | KDRCYP1A2CYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |