Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.59 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GBA1 | P04062 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HK1 | P19367 | 1/20 | 0.52 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8901555 | 0.99 | ALDH1A1 (0.57) | HTR3AHRH4NPY5RALDH1A1KDM4E | |
| SCHEMBL4228908 | 0.84 | ADRA1D (0.61) | — | |
| SCHEMBL2963574 | 0.80 | HSD11B1 (0.65) | ALDH1A1KDM4EGAAHTTMEN1 | |
| SCHEMBL8564336 | 0.79 | MEN1 (0.83) | NPY5RALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL2952847 | 0.78 | MAPT (0.71) | ALDH1A1GAAHPGDMEN1KMT2A | |
| SCHEMBL2165178 | 0.77 | GBA1 (0.51) | NPY5RALDH1A1GAAHSD17B10HTT | |
| SCHEMBL8908163 | 0.75 | HRH4 (0.57) | HTR3AHRH4ALDH1A1KDM4EGAA | |
| SCHEMBL30513776 | 0.75 | HRH4 (1.00) | HTR3AHRH4ALDH1A1KDM4EGAA | |
| SCHEMBL11741104 | 0.75 | HRH4 (1.00) | HTR3AHRH4ALDH1A1KDM4EGAA | |
| SCHEMBL742359 | 0.74 | KDM4E (0.94) | HTR3AHRH4ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020820-A1 | HETEROARYL COMPOUNDS | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | claimed |