Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320010 | 0.93 | CA12 (0.54) | ABCB1CA12CA1CA2CA9 | |
| SCHEMBL9042054 | 0.74 | CHRM1 (0.47) | FAAHMGLLNR5A1CHRM2 | |
| SCHEMBL21497173 | 0.72 | CA12 (0.45) | ABCB1CA12CA1CA2CA9 | |
| SCHEMBL7847876 | 0.71 | CHRM1 (0.50) | CHRM2ADRA2AHTR2BSLC6A3 | |
| SCHEMBL11393913 | 0.70 | FAAH (0.39) | ABCB1FAAHMGLLCDK1CCNB1 | |
| SCHEMBL8442739 | 0.69 | CHRM1 (0.49) | CHRM2ADRA2AHTR2BSLC6A3 | |
| SCHEMBL23352451 | 0.68 | ABCB1 (0.40) | ABCB1CA12CA1CA2CA9 | |
| SCHEMBL2566617 | 0.67 | THRA (0.41) | ABCB1CA12CA1CA2CA9 | |
| SCHEMBL9428914 | 0.67 | FAAH (0.45) | ABCB1KMT2AFAAHMGLLNR5A1 | |
| SCHEMBL2564371 | 0.67 | THRA (0.41) | ABCB1CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5889019-A | CENTRAL NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1999-03-30 | — | — | US | disclosed |
| WO-1997019944-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE | ELI LILLY AND COMPANY (US) | 1997-06-05 | — | — | WO | disclosed |
| EP-0776897-A1 | Heterocyclic compounds and their use | ELI LILLY AND COMPANY (US) | 1997-06-04 | — | — | EP | disclosed |