Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9691992 | 0.81 | KMT2A (0.51) | HCAR3HCAR2CYP1A2HTTLMNA | |
| SCHEMBL320551 | 0.75 | HCAR3 (0.41) | HCAR3HCAR2CYP1A2AKR1C1HTT | |
| SCHEMBL11432661 | 0.74 | ALDH1A1 (0.41) | HCAR3HCAR2CYP1A2LMNAALDH1A1 | |
| SCHEMBL9817499 | 0.73 | HCAR3 (0.40) | HCAR3HCAR2CYP1A2AKR1C1LMNA | |
| SCHEMBL11016310 | 0.72 | AKR1C1 (0.41) | HCAR3HCAR2CYP1A2AKR1C1HTT | |
| SCHEMBL4622011 | 0.72 | ALDH1A1 (0.39) | HCAR3HCAR2CYP1A2LMNAALDH1A1 | |
| SCHEMBL27356963 | 0.72 | HCAR2 (0.47) | HCAR2HTTLMNAKMT2AALDH1A1 | |
| SCHEMBL4600241 | 0.69 | HCAR3 (0.40) | HCAR3HCAR2CYP1A2AKR1C1HTT | |
| SCHEMBL320552 | 0.69 | HCAR3 (0.40) | HCAR3HCAR2CYP1A2AKR1C1HTT | |
| SCHEMBL19809221 | 0.69 | ALDH1A1 (0.37) | HCAR3HCAR2CYP1A2LMNAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1066141-C | 3- (hetero) arylcarboxylic acid derivatives, their preparation and use | BASF AG (DE) | 2001-05-23 | — | — | CN | disclosed |
| CN-1051307-C | 3-(hetero)aryloxy(thio) carboxylic acid derivatives, method of preparing them and intermediates used in their preparation | BASF AG (DE) | 2000-04-12 | — | — | CN | disclosed |
| CN-1121712-A | 3- (hetero) aryloxy (thio) carboxylic acid derivatives, process and intermediates for their preparation | BASF AG (DE) | 1996-05-01 | — | — | CN | disclosed |