Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA4 | P22748 | 4/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL904310 | 0.80 | CA1 (0.53) | CA1CA2CA4CA6MEN1 | |
| SCHEMBL10111840 | 0.75 | HTR2C (0.40) | CA1CA2CA4CA6DRD2 | |
| SCHEMBL904313 | 0.71 | DRD1 (0.39) | HTR2AGAADRD1KDM4EALDH1A1 | |
| SCHEMBL12602926 | 0.65 | CCNB2 (0.59) | CA1CA2CA4CA6HTR2A | |
| SCHEMBL30966015 | 0.65 | CA1 (0.64) | CA1CA2CA4CA6MEN1 | |
| SCHEMBL27046222 | 0.63 | HTR2A (0.43) | CA1CA2CA4CA6HTR2A | |
| SCHEMBL1182143 | 0.63 | KMT2A (0.72) | CA1CA2CA4CA6MEN1 | |
| SCHEMBL29682540 | 0.63 | KMT2A (0.72) | CA1CA2CA4CA6MEN1 | |
| SCHEMBL7041577 | 0.62 | ESR1 (0.73) | MEN1GAAKMT2APOLBCASP6 | |
| SCHEMBL11199712 | 0.62 | HTR2A (0.52) | HTR2AKMT2ADRD2DRD1HTR2C |
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-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |