Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370592 | 0.83 | CA1 (0.67) | CA1CA2CA7CA4CA9 | |
| SCHEMBL7420759 | 0.83 | CA1 (0.67) | CA1CA2CA7CA4CA9 | |
| SCHEMBL24369244 | 0.83 | CA1 (0.39) | CA1CA2CA7HPGDALDH1A1 | |
| SCHEMBL16176081 | 0.83 | CA1 (0.35) | CA1CA2CA7HPGDALDH1A1 | |
| SCHEMBL23051968 | 0.83 | CA1 (0.39) | CA1CA2CA7HPGDALDH1A1 | |
| SCHEMBL24369045 | 0.83 | CA1 (0.39) | CA1CA2CA7HPGDALDH1A1 | |
| SCHEMBL25099313 | 0.81 | CA1 (0.34) | CA1CA2CA7HPGDALDH1A1 | |
| SCHEMBL9557062 | 0.80 | CA1 (0.44) | CA1CA2CA7SMN1; SMN2MEN1 | |
| SCHEMBL14864770 | 0.80 | CA1 (0.44) | CA1CA2CA7SMN1; SMN2ACACB | |
| SCHEMBL903800 | 0.80 | CA1 (0.44) | CA1CA2CA7SMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |