Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11744417 | 0.84 | ALDH1A1 (0.46) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL2232563 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL8437481 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL14366321 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL2232577 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL2313784 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL2232567 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL12086376 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL261866 | 0.76 | ALDH1A1 (0.58) | ALDH1A1HTTTSHRMAOBKMT2A | |
| SCHEMBL20279659 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRMAOBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | disclosed |