Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18516032 | 0.76 | CHRM2 (0.54) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL13476420 | 0.72 | SLC6A3 (0.39) | SLC6A3SLC6A4CHRM2CHRM4CHRM5 | |
| SCHEMBL11567097 | 0.71 | POLB (0.42) | PGRALDH1A1LMNA | |
| SCHEMBL30216623 | 0.69 | KMT2A (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL30216634 | 0.69 | KMT2A (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3551369 | 0.67 | LMNA (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6431344 | 0.66 | SLC6A2 (0.65) | SLC6A3SLC6A4HPGDSLC6A2ALDH1A1 | |
| SCHEMBL2654115 | 0.64 | AHR (0.50) | SLC6A3SLC6A4HTR1AHTR7SLC6A2 | |
| SCHEMBL3704355 | 0.64 | PTGS1 (0.50) | SLC6A3PTGS1SLC6A4SLC6A2ALDH1A1 | |
| SCHEMBL25397901 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5538985-A | SIDE EFFECT REDUCTION | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0668275-A1 | Pyrrolidinone derivatives | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-08-23 | — | — | EP | disclosed |