Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3903631 | 0.85 | EGFR (0.57) | PDK2SRD5A2AKR1C3AKR1C2S1PR1 | |
| SCHEMBL28022353 | 0.82 | FFAR2 (0.47) | SRD5A2AKR1C3AKR1C2S1PR1 | |
| SCHEMBL28098468 | 0.82 | MAPT (0.54) | SRD5A2AKR1C3AKR1C2MAPTS1PR1 | |
| SCHEMBL28771192 | 0.82 | RAB9A (0.51) | PDK2CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL9488109 | 0.81 | CA12 (0.66) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL3586442 | 0.81 | RAB9A (0.53) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL1993657 | 0.81 | CA12 (0.56) | PDK2CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL10973660 | 0.80 | CA12 (0.51) | PDK2CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL29918535 | 0.80 | MAPT (0.64) | PDK2CYP1A2KDM4EALDH1A1RAB9A | |
| SCHEMBL374633 | 0.80 | CA12 (0.54) | PDK2CYP1A2KDM4EALDH1A1HPGD |
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-101189226-A | Piperidin-4-yl-amide derivatives and their use as SST receptor subtype 5 antagonists | HOFFMANN LA ROCHE (CH) | 2008-05-28 | — | — | CN | disclosed |