Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3854204 | 1.00 | HCAR3 (0.36) | HCAR3GPR119ADORA2ACYP3A4CYP2D6 | |
| SCHEMBL5156551 | 0.88 | GPR119 (0.37) | GPR119ADORA2ACYP3A4CYP2D6NPC1 | |
| SCHEMBL3854271 | 0.80 | HCAR3 (0.44) | HCAR3ADORA2ARAB9AALDH1A1NAMPT | |
| SCHEMBL3853721 | 0.77 | NAMPT (0.46) | HCAR3ADORA2AKDM4ENAMPT | |
| SCHEMBL3854296 | 0.76 | KMT2A (0.51) | HCAR3LMNAKDM4EALDH1A1NAMPT | |
| SCHEMBL3348971 | 0.76 | GLRA3 (0.41) | HCAR3ADORA2ANAMPT | |
| SCHEMBL3855652 | 0.74 | HCAR3 (0.40) | HCAR3ADORA2ARAB9AALDH1A1NAMPT | |
| SCHEMBL13306259 | 0.74 | TPMT (0.52) | HCAR3RAB9AALDH1A1NAMPT | |
| SCHEMBL475579 | 0.74 | KDM4E (0.43) | GPR119NPC1LMNAPKMRAB9A | |
| SCHEMBL3860120 | 0.73 | TPMT (0.40) | HCAR3ADORA2ARAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |