Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.69 |
| ▸ | RAB9A | P51151 | 6/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | GFER | P55789 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | GRM5 | P41594 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL520877 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL126657 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL28928584 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL30540356 | 0.84 | SMYD3 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EGFER | |
| SCHEMBL123652 | 0.84 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL10211714 | 0.82 | HDAC4 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EGFER | |
| SCHEMBL16589413 | 0.81 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2KDM4EHPGD | |
| SCHEMBL178426 | 0.81 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL16589421 | 0.81 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2KDM4EHPGD | |
| SCHEMBL3455803 | 0.81 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023192901-A9 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023192901-A1 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |