Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.58 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.58 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.58 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11375673 | 0.84 | IP6K1 (0.55) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL8048080 | 0.83 | TRPV1 (0.55) | DHODHNPC1FLT1KDRKMT2A | |
| SCHEMBL4339483 | 0.82 | NR4A1 (0.44) | IP6K1IP6K3IP6K2ALDH1A1SMN1; SMN2 | |
| SCHEMBL4032450 | 0.82 | IP6K1 (0.58) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL928538 | 0.80 | PTGS1 (0.54) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL3711076 | 0.80 | PRNP (0.45) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL13733019 | 0.79 | GPBAR1 (0.64) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL19119250 | 0.78 | PTGS1 (0.53) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL4333981 | 0.77 | ALDH1A1 (0.58) | IP6K1IP6K3IP6K2BRD4ALDH1A1 | |
| SCHEMBL13508 | 0.77 | PTGS1 (0.51) | IP6K1IP6K3IP6K2BRD4ALDH1A1 |
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-4243406-A | REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE | MONSANTO COMPANY (US) | 1981-01-06 | — | — | US | disclosed |