Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326004 | 0.93 | ABCB1 (0.50) | CA12CA1CA2CA9ABCB1 | |
| SCHEMBL21497173 | 0.79 | CA12 (0.45) | CA12CA1CA2CA9ABCB1 | |
| SCHEMBL7851759 | 0.69 | CHRM1 (0.51) | — | |
| SCHEMBL21500005 | 0.66 | LMNA (0.46) | CA12CA1CA2CA9ABCB1 | |
| SCHEMBL10263707 | 0.66 | NPC1 (0.38) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL6917896 | 0.65 | SMN1; SMN2 (0.41) | LMNANPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9042054 | 0.65 | CHRM1 (0.47) | FAAHMGLL | |
| SCHEMBL10264327 | 0.65 | SMN1; SMN2 (0.34) | CA12CA1CA2CA9LMNA | |
| SCHEMBL11222396 | 0.65 | NPC1 (0.37) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL7799554 | 0.64 | SMN1; SMN2 (0.54) | KMT2ALMNANPC1RAB9ASMN1; 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 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 |