Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 9/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717628 | 1.00 | HCAR3 (0.44) | HCAR3TSHRALDH1A1GAAHPGD | |
| SCHEMBL29096564 | 0.82 | HCAR3 (0.45) | HCAR3TSHRGAACASP6MAPT | |
| SCHEMBL10656587 | 0.76 | FBP1 (0.51) | HCAR3TSHRALDH1A1KMT2A | |
| SCHEMBL10656582 | 0.76 | FBP1 (0.51) | HCAR3TSHRALDH1A1KMT2A | |
| SCHEMBL10769669 | 0.75 | TSHR (0.44) | HCAR3TSHRALDH1A1GAAHPGD | |
| SCHEMBL1668376 | 0.70 | TSHR (0.61) | TSHRALDH1A1GAAMAPT | |
| SCHEMBL29096559 | 0.70 | ERN1 (0.49) | ALDH1A1GAAHPGDKMT2AMEN1 | |
| SCHEMBL29096552 | 0.70 | ERN1 (0.37) | ALDH1A1HPGDKMT2AMEN1RAB9A | |
| SCHEMBL29096553 | 0.70 | ERN1 (0.37) | ALDH1A1HPGDKMT2AMEN1RAB9A | |
| SCHEMBL29096558 | 0.70 | ERN1 (0.49) | ALDH1A1GAAHPGDKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0240256-B1 | COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA | MERCK & CO. INC. (US) | 1992-04-29 | — | — | EP | disclosed |
| US-4751244-A | NITROALKENYL CARBOXYLIC ACIDS | MERCK & CO., INC. (US) | 1988-06-14 | — | — | US | disclosed |
| EP-0240256-A2 | Compounds useful in treating sickle cell anemia | MERCK & CO. INC. (US) | 1987-10-07 | — | — | EP | disclosed |