Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.43 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28357129 | 0.90 | TRPV1 (0.43) | TLR7RAB9AKMT2ANPC1CYP1A2 | |
| SCHEMBL28357028 | 0.88 | HPGD (0.56) | ALDH1A1RAB9AHPGDLMNAMEN1 | |
| SCHEMBL28360998 | 0.82 | CASP3 (0.46) | POLBLMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL28360909 | 0.82 | POLB (0.49) | ALDH1A1POLBSMN1; SMN2LMNAMEN1 | |
| SCHEMBL28357034 | 0.82 | L3MBTL1 (0.51) | POLBRAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28347357 | 0.82 | ALDH1A1 (0.50) | TLR7ALDH1A1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL28347790 | 0.81 | CYP1A2 (0.54) | NPSR1TLR7ALDH1A1POLBRAB9A | |
| SCHEMBL28357040 | 0.80 | L3MBTL1 (0.46) | ALDH1A1POLBSMN1; SMN2HPGDMEN1 | |
| SCHEMBL28357101 | 0.80 | TDP1 (0.50) | ALDH1A1POLBLMNAMEN1KMT2A | |
| SCHEMBL28360908 | 0.79 | KMT2A (0.47) | ALDH1A1POLBRAB9ASMN1; SMN2HPGD |
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-110642782-B | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-110642782-A | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2020-01-03 | — | — | CN | disclosed |