Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2505653 | 1.00 | CES2 (0.54) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL6299542 | 0.81 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL562773 | 0.79 | CES1 (0.52) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8055824 | 0.79 | CES2 (0.57) | CES2RAB9ANPSR1MEN1KMT2A | |
| SCHEMBL8055819 | 0.79 | CES2 (0.57) | CES2RAB9ANPSR1MEN1KMT2A | |
| SCHEMBL8055817 | 0.79 | CES2 (0.57) | CES2RAB9ANPSR1MEN1KMT2A | |
| SCHEMBL2500212 | 0.78 | CES1 (0.65) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL30214744 | 0.78 | CES1 (0.65) | CES2CES1PARP1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL28214522 | 0.76 | PARP1 (0.78) | CES2CES1PARP1NPC1RAB9A | |
| 1,3-Dimethoxybenzene SCHEMBL11452224 | 0.76 | LMNA (0.58) | CES2CES1PARP1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8030354-B2 | 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes | AMGEN INC. (US) | 2011-10-04 | — | — | US | disclosed |