Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378849 | 0.83 | ALDH1A1 (0.50) | TSHRALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL6569934 | 0.82 | TSHR (0.59) | TSHRALDH1A1MEN1KMT2AHTT | |
| SCHEMBL10891106 | 0.79 | TSHR (0.62) | TSHRALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL13971409 | 0.78 | TSHR (0.66) | TSHRALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL6178883 | 0.78 | TSHR (0.66) | TSHRALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL16743937 | 0.78 | TSHR (0.66) | TSHRALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL1073143 | 0.76 | TSHR (0.68) | TSHRALDH1A1MEN1KMT2AHTT | |
| SCHEMBL264775 | 0.76 | TSHR (0.68) | TSHRALDH1A1MEN1KMT2AHTT | |
| SCHEMBL11183419 | 0.76 | TSHR (0.58) | TSHRALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12670558 | 0.76 | TSHR (0.68) | TSHRALDH1A1MEN1KMT2AHTT |
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-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |