Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23972322 | 0.85 | SLC6A2 (0.55) | PYCR1ACHETRPV1MGLLCYP1A2 | |
| SCHEMBL29565966 | 0.82 | SLC6A2 (0.56) | PYCR1ACHETRPV1MGLLCYP1A2 | |
| SCHEMBL26027596 | 0.81 | TRPV1 (0.51) | PYCR1ACHETRPV1MGLLCYP1A2 | |
| SCHEMBL4089366 | 0.80 | PSMB5 (0.57) | PYCR1ACHETRPV1MGLLCYP1A2 | |
| SCHEMBL3369887 | 0.78 | NPC1 (0.66) | MGLLNPC1MEN1KMT2A | |
| SCHEMBL17882156 | 0.77 | RIPK1 (0.68) | — | |
| SCHEMBL29912607 | 0.77 | RIPK1 (0.68) | — | |
| SCHEMBL17447228 | 0.76 | PYCR1 (0.61) | PYCR1CYP1A2CYP2A6SLC6A2SLC6A4 | |
| SCHEMBL6417278 | 0.76 | PDPK1 (0.49) | PYCR1ACHETRPV1MGLLCYP1A2 | |
| SCHEMBL6417280 | 0.76 | PDPK1 (0.49) | PYCR1ACHETRPV1MGLLCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4952595-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |
| EP-0198382-B1 | HETEROCYCLIC AMIDE DERIVATIVES | BAYER AG (DE) | 1989-09-20 | — | — | EP | disclosed |
| US-4840961-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| EP-0198382-A2 | Heterocyclic amide derivatives | BAYER AG (DE) | 1986-10-22 | — | — | EP | disclosed |