Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | TP53 | P04637 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2270503 | 0.98 | NPC1 (0.59) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL24307626 | 0.96 | NPC1 (0.58) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL16373702 | 0.82 | ALDH1A1 (0.58) | NPC1RAB9ACYP1A2CYP19A1CYP2C9 | |
| SCHEMBL28746964 | 0.82 | CYP1A2 (0.54) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL7904001 | 0.82 | MAPT (0.64) | NPC1RAB9ACYP1A2CYP19A1CYP2C9 | |
| SCHEMBL2272084 | 0.82 | CYP1A2 (0.54) | NPC1RAB9ACYP1A2CYP19A1CYP2C9 | |
| SCHEMBL1672 | 0.82 | PTPN1 (0.56) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL13514282 | 0.82 | CYP1A2 (0.54) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL354607 | 0.81 | RAB9A (0.61) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL11786351 | 0.79 | CYP1A2 (0.51) | NPC1RAB9ACASP3SENP8SENP7 |
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-114174293-A | 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives | 默克专利股份公司 | 2022-03-11 | — | — | CN | disclosed |