Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | EP300 | Q09472 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL9771313 | 0.89 | ALDH1A1 (0.37) | KMT2AADORA2AALDH1A1MEN1LMNA | |
| SCHEMBL9771332 | 0.88 | KMT2A (0.39) | KMT2AALDH1A1MEN1TSHRSMN1; SMN2 | |
| SCHEMBL9771413 | 0.75 | KMT2A (0.45) | KMT2AADORA2AALDH1A1EP300F2 | |
| SCHEMBL10068628 | 0.69 | ALDH1A1 (0.54) | KMT2AALDH1A1EP300F2PLG | |
| SCHEMBL9771335 | 0.66 | ADORA2A (0.48) | KMT2AADORA2AALDH1A1EP300F2 | |
| SCHEMBL17926108 | 0.66 | ADORA2A (0.54) | KMT2AADORA2AALDH1A1EP300F2 | |
| SCHEMBL9826822 | 0.66 | ALDH1A1 (0.47) | KMT2AALDH1A1MEN1TSHRMAPK1 | |
| SCHEMBL5739701 | 0.65 | ADORA2A (0.60) | KMT2AADORA2AALDH1A1EP300F2 | |
| SCHEMBL9771422 | 0.65 | EP300 (0.49) | KMT2AADORA2AALDH1A1EP300F2 | |
| SCHEMBL6395621 | 0.65 | MEN1 (0.66) | KMT2AALDH1A1EP300F2PLG |
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 |
|---|---|---|---|---|---|---|---|
| US-5068341-A | OPTICALLY ACTIVE HYDANTOINS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0243734-B1 | OPTICALLY ACTIVE HYDANTOIN | MERCK PATENT GmbH (DE) | 1991-07-17 | — | — | EP | disclosed |
| EP-0243734-A2 | Optically active hydantoin | MERCK PATENT GmbH (DE) | 1987-11-04 | — | — | EP | disclosed |