Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.35 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 5/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15043718 | 0.76 | TP53 (0.37) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL16233051 | 0.73 | ESR1 (0.42) | ESR1THRATHRBHSD11B1TYR | |
| SCHEMBL9609775 | 0.73 | ALDH1A1 (0.55) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL1468537 | 0.72 | NPC1 (0.39) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL20197193 | 0.72 | BMPR1B (0.38) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL24120777 | 0.72 | TYR (0.60) | ESR1THRATHRBL3MBTL1HSD11B1 | |
| SCHEMBL2608967 | 0.72 | MAPT (0.46) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL2609179 | 0.71 | KDM4E (0.47) | TP53MAPTL3MBTL1TDP1ADRA2A | |
| SCHEMBL15807132 | 0.68 | KDM4E (0.39) | MAPTL3MBTL1SMN1; SMN2TYRLMNA | |
| SCHEMBL924099 | 0.68 | B3GNT2 (0.44) | MAPTSHMT2SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |