Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388149 | 0.84 | CAPN1 (0.60) | CAPN1HTTRAB9AALDH1A1NPC1 | |
| SCHEMBL7787014 | 0.83 | CAPN1 (0.57) | CAPN1LMNAHTTESR1ESR2 | |
| SCHEMBL7390738 | 0.83 | PARP1 (0.67) | CAPN1LMNAHTTRAB9APARP1 | |
| SCHEMBL4431127 | 0.82 | SGMS2 (0.59) | LMNAHTTRAB9APARP1ALDH1A1 | |
| SCHEMBL9346892 | 0.81 | CAPN1 (0.55) | CAPN1LMNAHTTRAB9AALDH1A1 | |
| SCHEMBL13652642 | 0.80 | NPC1 (0.55) | LMNARAB9ANPC1 | |
| Water SCHEMBL8980772 | 0.79 | CAPN1 (0.55) | CAPN1ALDH1A1 | |
| SCHEMBL9716035 | 0.78 | CAPN1 (0.54) | CAPN1LMNARAB9APARP1ALDH1A1 | |
| Water SCHEMBL8980780 | 0.78 | CAPN1 (0.49) | CAPN1LMNAHTTESR1ESR2 | |
| SCHEMBL9185100 | 0.77 | MRGPRX4 (0.58) | HTTRAB9AALDH1A1SMN1; SMN2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0375368-A2 | Alcohol and ether derivatives | ZENECA LIMITED (GB) | 1990-06-27 | — | — | EP | disclosed |