Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458841 | 0.86 | NPC1 (0.44) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL9459051 | 0.82 | TP53 (0.44) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL4102344 | 0.82 | CYP11B1 (0.39) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL9734851 | 0.74 | POLB (0.36) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL9053066 | 0.73 | NPC1 (0.68) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL3348647 | 0.72 | CYP1A2 (0.47) | CYP1A2ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL30618514 | 0.72 | CYP1A2 (0.47) | CYP1A2ALDH1A1CYP11B1CYP11B2 | |
| Toluene SCHEMBL28301657 | 0.72 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL8420812 | 0.71 | NPC1 (0.45) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL9024026 | 0.71 | KDM4E (0.42) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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-5114493-A | Smoking compositions containing a hexahydrobenzofuranone flavorant | PHILIP MORRIS INC. (US) | 1992-05-19 | — | — | US | disclosed |