Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1904000 | 0.92 | GGPS1 (0.47) | GGPS1TP53TRPA1AKR1C3AKR1C2 | |
| SCHEMBL2811400 | 0.84 | PRSS1 (0.44) | GGPS1TRPA1AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL13189961 | 0.82 | GGPS1 (0.42) | GGPS1TP53PTGS2TRPA1AKR1C3 | |
| SCHEMBL27346370 | 0.82 | NOS1 (0.51) | GGPS1ALDH1A1 | |
| SCHEMBL9454043 | 0.82 | GGPS1 (0.42) | GGPS1TP53TRPA1AKR1C3AKR1C2 | |
| SCHEMBL27311311 | 0.82 | CYP19A1 (0.49) | GGPS1TRPA1CYP19A1GRIN2DGRIN3B | |
| SCHEMBL8848832 | 0.80 | TAAR1 (0.47) | GGPS1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL10829368 | 0.79 | TRPA1 (0.44) | GGPS1TP53PTGS2TRPA1CYP2A6 | |
| SCHEMBL2229094 | 0.78 | MAOB (0.47) | GGPS1TP53AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL3800542 | 0.78 | AKR1C3 (0.39) | GGPS1AKR1C3AKR1C2AKR1C4CYP19A1 |
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-1028174-C | Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-04-12 | — | — | CN | disclosed |
| CN-1050385-A | Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like | ALLERGAN INC (US) | 1991-04-03 | — | — | CN | disclosed |