Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL128405 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL267275 | 0.89 | IDO1 (0.50) | ALDH1A1LMNANPC1POLBGAA | |
| Ethane SCHEMBL27746361 | 0.89 | IDO1 (0.50) | ALDH1A1LMNANPC1POLBGAA | |
| Methylamine SCHEMBL10855430 | 0.86 | TAAR1 (0.50) | ALDH1A1LMNANPC1POLBGAA | |
| Formaldehyde SCHEMBL27479517 | 0.86 | TP53 (0.56) | ALDH1A1LMNACYP2C19IDO1MGLL | |
| SCHEMBL676804 | 0.84 | MAOB (0.52) | ALDH1A1LMNANPC1POLBGAA | |
| Acetamide SCHEMBL27448133 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LMNANPC1POLBGAA | |
| SCHEMBL10451943 | 0.81 | MEN1 (0.49) | ALDH1A1LMNANPC1POLBGAA | |
| SCHEMBL28399335 | 0.80 | ALDH1A1 (0.65) | ALDH1A1LMNANPC1POLBGAA | |
| SCHEMBL11315565 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNANPC1POLBGAA |
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-103097364-B | Spiro-piperidine derivatives as S1P modulators | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2015-11-25 | — | — | CN | disclosed |