Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23639908 | 0.79 | NPC1 (0.41) | CHRNB2CHRNA6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL314557 | 0.77 | HTR2A (0.41) | HPGDMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6299957 | 0.77 | MAPT (0.40) | SMN1; SMN2NPC1RAB9ACYP1A2MAPT | |
| SCHEMBL9341849 | 0.76 | CHRNB2 (0.47) | CHRNB2SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL9346803 | 0.71 | SLC6A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7377829 | 0.71 | ALDH1A1 (0.47) | CYP1A2MAPTHPGDKDM4ECYP3A4 | |
| SCHEMBL27551917 | 0.70 | MAPT (0.41) | CHRNB2CHRNA6MAPTHPGDKMT2A | |
| SCHEMBL288700 | 0.69 | — | — | |
| SCHEMBL9720298 | 0.68 | MAOA (0.40) | CYP1A2MAPTHPGDALOX15KMT2A | |
| SCHEMBL8075904 | 0.67 | JUN (0.38) | SMN1; SMN2NPC1RAB9ACYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |