Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17450356 | 0.82 | ALDH1A1 (0.34) | NPC1BACE1BCHELMNAMAPT | |
| SCHEMBL15614337 | 0.81 | ALDH1A1 (0.39) | NPC1LMNATDP1TP53MAPT | |
| SCHEMBL13468449 | 0.81 | NPC1 (0.44) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL24130977 | 0.80 | NPC1 (0.47) | NPC1BACE1BCHELMNASMN1; SMN2 | |
| SCHEMBL13468797 | 0.79 | NPC1 (0.58) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL13468550 | 0.75 | NPC1 (0.53) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL12756964 | 0.73 | NPC1 (0.64) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL17450353 | 0.72 | MAOA (0.39) | NPC1LMNAMAPTSMN1; SMN2RAB9A | |
| SCHEMBL15614342 | 0.71 | RAB9A (0.42) | NPC1LMNATDP1MAPTSMN1; SMN2 | |
| SCHEMBL18590265 | 0.71 | LMNA (0.45) | NPC1CYP1A2LMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169662-B1 | SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2018-07-11 | — | — | EP | disclosed |
| EP-2510786-A1 | Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives | Bayer CropScience AG (DE) | 2012-10-17 | — | — | EP | disclosed |