Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | HEXA | P06865 | 4/20 | 0.43 |
| ▸ | HEXB | P07686 | 4/20 | 0.43 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272100 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL7281339 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL7276878 | 0.94 | HTR3A (0.51) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL7279088 | 0.94 | HTR3A (0.51) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL7276880 | 0.94 | HTR3A (0.51) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL13016514 | 0.87 | CHRNB4 (0.44) | HTR3ALMNACHRNB4CHRNA3 | |
| SCHEMBL7227680 | 0.85 | CHRNB4 (0.50) | ALDH1A1KMT2AHTR3ACHRNB4CHRNA3 | |
| SCHEMBL1573787 | 0.85 | CHRNB4 (0.50) | ALDH1A1KMT2AHTR3ACHRNB4CHRNA3 | |
| SCHEMBL3759811 | 0.85 | CHRNB4 (0.50) | ALDH1A1KMT2AHTR3ACHRNB4CHRNA3 | |
| SCHEMBL9585101 | 0.80 | ADRB2 (0.49) | ALDH1A1KDM4EHPGDHSD17B10MEN1 |
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-5202318-A | Antiserotonine, antiemetic agents | SYNTEX (U.S.A.) INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0457243-A1 | Novel tricyclic compounds | SYNTEX (U.S.A.) INC. (US) | 1991-11-21 | — | — | EP | disclosed |