Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450540 | 0.82 | CHRNB2 (0.53) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL6294040 | 0.82 | ALDH1A1 (0.54) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL9537809 | 0.76 | CHRNB2 (0.35) | CHRNB2ALDH1A1CYP11B2ALOX5MAPT | |
| SCHEMBL314557 | 0.76 | HTR2A (0.41) | ALDH1A1KMT2AMEN1LMNAKDM4E | |
| SCHEMBL289623 | 0.74 | — | — | |
| SCHEMBL27321866 | 0.74 | CHRNB2 (0.49) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL27746559 | 0.73 | CYP11B2 (0.53) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL27833847 | 0.73 | ALOX5 (0.40) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL23640127 | 0.73 | CHRNB2 (0.50) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL3017118 | 0.70 | CHRNB2 (0.51) | CHRNB2CHRNA4ALDH1A1CYP11B2CYP11B1 |
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-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |