Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11661709 | 0.79 | MAPT (0.52) | ALDH1A1CYP3A4NPC1RAB9ALMNA | |
| SCHEMBL13700993 | 0.76 | ACHE (0.52) | ACHEHTR2AALDH1A1CYP3A4NPC1 | |
| SCHEMBL11663137 | 0.76 | AR (0.50) | ALDH1A1CYP3A4NPC1RAB9ALMNA | |
| SCHEMBL23585557 | 0.74 | ALDH1A1 (0.42) | ACHEHTR2AALDH1A1CYP3A4KMT2A | |
| SCHEMBL6041415 | 0.73 | MTNR1A (0.56) | ALDH1A1CA2TDP1 | |
| SCHEMBL11095959 | 0.73 | KDM4E (0.50) | ACHEALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL26717425 | 0.72 | PTGS2 (0.54) | ACHEALDH1A1KMT2AHTTCYP2C9 | |
| SCHEMBL13294876 | 0.72 | ACHE (0.60) | ACHEALDH1A1CYP3A4KMT2ALMNA | |
| SCHEMBL21189843 | 0.71 | KDM4E (0.40) | ALDH1A1KMT2AHTTKDM4EL3MBTL1 | |
| SCHEMBL13433956 | 0.70 | ACHE (0.59) | ACHEALDH1A1CYP3A4NPC1RAB9A |
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-4120866-A | REACTING AN AROMATIC COMPOUND WITH A SULFOXIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-17 | — | — | US | disclosed |