Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.55 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.55 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.55 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10665627 | 0.85 | TRPV1 (0.55) | MEN1KMT2ATRPV1MAPT | |
| SCHEMBL11375484 | 0.84 | IP6K1 (0.58) | IP6K1IP6K3IP6K2RXRARXRB | |
| SCHEMBL11377985 | 0.81 | PTGS1 (0.50) | IP6K1IP6K3IP6K2ALDH1A1MEN1 | |
| SCHEMBL11373825 | 0.81 | FABP3 (0.48) | RXRARXRBRXRGALDH1A1PIN1 | |
| SCHEMBL11382101 | 0.79 | ALDH1A1 (0.54) | IP6K1IP6K3IP6K2RXRARXRB | |
| SCHEMBL11378312 | 0.75 | GPBAR1 (0.41) | ALDH1A1KMONPC1RAB9AGPBAR1 | |
| SCHEMBL11384353 | 0.75 | MEN1 (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL11373634 | 0.74 | TSHR (0.46) | RXRARXRBRXRGSMN1; SMN2KMO | |
| SCHEMBL13733019 | 0.73 | GPBAR1 (0.64) | IP6K1IP6K3IP6K2ALDH1A1SMN1; SMN2 | |
| SCHEMBL11379065 | 0.73 | NPC1 (0.48) | IP6K1IP6K3IP6K2ALDH1A1SMN1; SMN2 |
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 |