Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.32 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2095382 | 0.79 | MAPT (0.50) | MAPTALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL2095443 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRKDM4ELMNAMEN1 | |
| SCHEMBL96749 | 0.79 | TSHR (0.44) | ALDH1A1TSHRNPSR1KDM4EHPGD | |
| SCHEMBL28767077 | 0.76 | TSHR (0.45) | MAPTALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL28225368 | 0.76 | CD44 (0.45) | MAPTALDH1A1TSHRNPSR1MEN1 | |
| SCHEMBL15445380 | 0.76 | MAPT (0.35) | MAPTALDH1A1TSHRNPSR1MEN1 | |
| SCHEMBL19983998 | 0.76 | ALDH1A1 (0.42) | MAPTALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL27398971 | 0.76 | CYP1A2 (0.52) | MAPTALDH1A1TSHRNPSR1HPGD | |
| SCHEMBL2625749 | 0.74 | CA1 (0.48) | MAPTALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL17875228 | 0.72 | TSHR (0.39) | ALDH1A1TSHRNPSR1LMNAHPGD |
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-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |