Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21991857 | 0.80 | NPC1 (0.44) | KDM4ENPC1RAB9ASMN1; SMN2PPARG | |
| SCHEMBL21991568 | 0.79 | NOS3 (0.44) | KDM4ENPC1RAB9ASMN1; SMN2PPARG | |
| SCHEMBL21991320 | 0.77 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2PPARGPPARA | |
| SCHEMBL21992012 | 0.76 | NOS3 (0.41) | NPC1RAB9ASMN1; SMN2PPARGPPARA | |
| SCHEMBL10989062 | 0.74 | SLC6A4 (0.44) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10877525 | 0.74 | PTPN1 (0.39) | NPC1RAB9ASMN1; SMN2PPARGPPARA | |
| SCHEMBL10994700 | 0.73 | SLC6A4 (0.40) | KDM4ENPC1RAB9APPARGPPARA | |
| SCHEMBL11000197 | 0.73 | FNTA (0.39) | NPC1RAB9ASMN1; SMN2PPARGPPARA | |
| SCHEMBL3990976 | 0.73 | IDH1 (0.58) | PPARGPPARACYP1A1CYP1B1MAOB | |
| SCHEMBL21992015 | 0.72 | FFAR1 (0.56) | PPARGMAOBFFAR1 |
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-4500541-A | Pharmacologically active cyclopropane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-02-19 | — | — | US | disclosed |