Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9627860 | 0.83 | CA1 (0.44) | MEN1KMT2ANPC1LOXL2ALDH1A1 | |
| SCHEMBL27282714 | 0.83 | ALDH1A1 (0.59) | SMN1; SMN2MEN1KMT2ACYP4A11NPC1 | |
| SCHEMBL27541699 | 0.82 | HPGD (0.47) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL6661330 | 0.82 | F2 (0.52) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| Ammonia Solution, Strong SCHEMBL28088970 | 0.81 | ALDH1A1 (0.57) | SMN1; SMN2MEN1KMT2ACYP4A11LOXL2 | |
| SCHEMBL28631592 | 0.78 | LOXL2 (0.68) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL5834013 | 0.78 | HPGD (0.45) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL63426 | 0.78 | LOXL2 (0.68) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL8454935 | 0.78 | KMT2A (0.53) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL27532336 | 0.78 | HPGD (0.49) | HPGDSMN1; SMN2ADRB2ADRB1ADRB3 |
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-103403004-B | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2016-06-01 | — | — | CN | disclosed |