Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9709665 | 1.00 | TSHR (0.68) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL10239588 | 0.82 | ALDH1A1 (0.49) | TSHRCES2CES1DAORAB9A | |
| SCHEMBL11940620 | 0.82 | ALDH1A1 (0.49) | TSHRCES2CES1DAORAB9A | |
| SCHEMBL9609555 | 0.82 | CES2 (0.54) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL1144375 | 0.81 | TSHR (0.61) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL1144374 | 0.81 | TSHR (0.61) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL9710203 | 0.80 | DAO (0.55) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL28425855 | 0.80 | DAO (0.55) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL9710205 | 0.80 | DAO (0.55) | TSHRHDAC1CES2CES1DAO | |
| SCHEMBL27976118 | 0.79 | TSHR (0.48) | TSHRHDAC1CES2CES1DAO |
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-1992020689-A1 | ANTIBACTERIAL PENEM DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 1992-11-26 | — | — | WO | disclosed |