Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ERG | P11308 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092241 | 0.86 | RAB9A (0.55) | RAB9ANPC1ALDH1A1PKMHPGD | |
| SCHEMBL7902195 | 0.85 | ABL1 (0.44) | ALDH1A1MGLLPOLBTSHRCA12 | |
| SCHEMBL7908120 | 0.84 | MGLL (0.42) | ALDH1A1MGLLMAPTLMNATSHR | |
| SCHEMBL7909508 | 0.82 | CA12 (0.37) | ALDH1A1POLBCYP3A4TSHRCA12 | |
| SCHEMBL7910802 | 0.81 | TSHR (0.39) | RAB9ANPC1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL7915828 | 0.81 | TSHR (0.39) | RAB9ANPC1ALDH1A1PKMKDM4E | |
| SCHEMBL7908933 | 0.81 | TSHR (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7912598 | 0.81 | CA12 (0.39) | ALDH1A1HPGDMGLLSMN1; SMN2POLB | |
| SCHEMBL7912463 | 0.80 | CA12 (0.37) | RAB9ANPC1ALDH1A1CYP3A4LMNA | |
| SCHEMBL7912461 | 0.78 | CYP1A2 (0.47) | RAB9AALDH1A1HPGDKDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |