Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | BCL9 | O00512 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27770581 | 0.84 | PTPRC (0.48) | ALDH1A1ACHETSHRMAPTAKR1C3 | |
| SCHEMBL10128365 | 0.77 | CA1 (0.43) | ALDH1A1POLBCA1CA2ACHE | |
| SCHEMBL27749895 | 0.75 | NPSR1 (0.42) | ALDH1A1ACHEHSD17B10TSHRCES2 | |
| SCHEMBL643468 | 0.74 | CA1 (0.51) | ALDH1A1POLBCA1CA2ACHE | |
| SCHEMBL10155660 | 0.71 | ALDH1A1 (0.40) | ALDH1A1POLBCA1CA2ACHE | |
| SCHEMBL643469 | 0.71 | ALDH1A1 (0.40) | ALDH1A1POLBCA1CA2ACHE | |
| SCHEMBL27841628 | 0.71 | AKR1C3 (0.66) | ALDH1A1CA1CA2ACHEBCHE | |
| SCHEMBL642520 | 0.71 | CA1 (0.54) | ALDH1A1POLBCA1CA2ACHE | |
| SCHEMBL4973441 | 0.70 | CA1 (0.56) | ALDH1A1CA1CA2ACHECA5A | |
| SCHEMBL445417 | 0.70 | CA1 (0.56) | ALDH1A1CA1CA2ACHECA5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | claimed |
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | disclosed |