Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4102344 | 0.82 | CYP11B1 (0.39) | POLBCYP11B1CYP11B2RAB9ANPC1 | |
| SCHEMBL9733870 | 0.74 | NPC1 (0.48) | ALDH1A1CYP11B1CYP11B2RAB9ANPC1 | |
| SCHEMBL9737121 | 0.69 | ALDH1A1 (0.40) | POLBALDH1A1RAB9AHSD17B1KMT2A | |
| SCHEMBL17902676 | 0.67 | CYP2D6 (0.40) | POLBALDH1A1CYP11B1CYP11B2HSD17B1 | |
| SCHEMBL1254599 | 0.66 | CYP2D6 (0.49) | POLBALDH1A1CYP11B1CYP11B2RAB9A | |
| SCHEMBL17694177 | 0.66 | KMT2A (0.40) | POLBALDH1A1L3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL849987 | 0.66 | ALOX15 (0.53) | POLBALDH1A1L3MBTL1NPC1KMT2A | |
| SCHEMBL534241 | 0.65 | CYP2D6 (0.55) | POLBALDH1A1CYP11B1CYP11B2RAB9A | |
| SCHEMBL11241585 | 0.65 | CYP2D6 (0.55) | POLBALDH1A1CYP11B1CYP11B2RAB9A | |
| SCHEMBL11082604 | 0.64 | CYP2D6 (0.54) | POLBALDH1A1RAB9ANPC1KMT2A |
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-5137035-A | With combustible filler of natural tobacco, reconstituted tobacco or tobacco substitutes | PHILIP MORRIS INCORPORATED (US) | 1992-08-11 | — | — | US | disclosed |
| US-5114493-A | Smoking compositions containing a hexahydrobenzofuranone flavorant | PHILIP MORRIS INC. (US) | 1992-05-19 | — | — | US | disclosed |