Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3624833 | 0.80 | ENPP3 (0.43) | RAB9AALDH1A1NPC1GAAESR1 | |
| SCHEMBL996497 | 0.78 | CCR1 (0.42) | RAB9ANPC1GAACYP1A2MEN1 | |
| SCHEMBL3627208 | 0.77 | TDO2 (0.51) | HTTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL3663254 | 0.77 | KDM4E (0.37) | RAB9ANPC1GAAESR1ESR2 | |
| SCHEMBL3657864 | 0.75 | HTR2A (0.37) | HTTRAB9AALDH1A1NPC1GAA | |
| SCHEMBL997481 | 0.74 | ADORA2A (0.33) | ALDH1A1NPC1GAAMEN1KMT2A | |
| SCHEMBL3625504 | 0.73 | MAPT (0.40) | RAB9AALDH1A1NPC1GAACYP1A2 | |
| SCHEMBL996348 | 0.73 | SMPD3 (0.47) | RAB9ANPC1GAACYP1A2CYP3A4 | |
| SCHEMBL3625399 | 0.73 | ALDH1A1 (0.35) | RAB9AALDH1A1NPC1GAAESR1 | |
| SCHEMBL314362 | 0.73 | ALDH1A1 (0.40) | HTTRAB9AALDH1A1NPC1CYP1A2 |
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-2010033466-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE | PHENOMIX CORPORATION (US) | 2010-03-25 | — | — | WO | disclosed |
| WO-2010033466-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE | PHENOMIX CORPORATION (US) | 2010-03-25 | — | — | WO | disclosed |