Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA7 | P43166 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL127564 | 0.98 | HDAC3 (0.46) | HDAC3HDAC4HDAC1HDAC6TSHR | |
| SCHEMBL27769920 | 0.92 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC6TSHR | |
| SCHEMBL127177 | 0.84 | ALDH1A1 (0.49) | TSHRESR1CYP1A2LMNACYP3A4 | |
| SCHEMBL10471051 | 0.84 | ALDH1A1 (0.47) | TSHRCDC7DBF4LMNAALDH1A1 | |
| SCHEMBL128695 | 0.81 | TSHR (0.51) | TSHRESR1CYP1A2LMNACYP3A4 | |
| SCHEMBL1641179 | 0.76 | DGAT1 (0.38) | HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL4196673 | 0.73 | — | — | |
| SCHEMBL132083 | 0.73 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7018973 | 0.72 | HDAC3 (0.73) | HDAC3HDAC4HDAC1HDAC6TSHR | |
| SCHEMBL290059 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104876921-A | 5H-cyclopenta[d]pyrimidines As AKT Protein Kinase Inhibitors | ARRAY BIOPHARMA INC | 2015-09-02 | — | — | CN | disclosed |