Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11731273 | 0.89 | ALDH1A1 (0.45) | ALDH1A1HTTLMNAPOLBNPSR1 | |
| SCHEMBL11728727 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KMT2AMAPK1TDP1 | |
| SCHEMBL11658560 | 0.82 | CYP2D6 (0.45) | ALDH1A1HTTLMNAPOLBNPSR1 | |
| SCHEMBL11728417 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HTTLMNAPOLBNPSR1 | |
| SCHEMBL11730758 | 0.79 | TDP1 (0.45) | ALDH1A1MAPTKMT2AMAPK1TDP1 | |
| SCHEMBL11852601 | 0.76 | ALOX15 (0.40) | ALDH1A1GAA | |
| SCHEMBL11728728 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EKMT2AMAPK1TDP1 | |
| SCHEMBL11726349 | 0.76 | TDP1 (0.43) | ALDH1A1HTTGAAKMT2AMAPK1 | |
| SCHEMBL11730979 | 0.76 | HPGD (0.44) | ALDH1A1L3MBTL1KMT2AMAPK1TDP1 | |
| SCHEMBL11726052 | 0.75 | FAAH (0.40) | ALDH1A1KMT2AMAPK1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |