Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27647345 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KMT2APOLBPKMPTPN1 | |
| SCHEMBL15201574 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KMT2APOLBPKMPTPN1 | |
| SCHEMBL1969808 | 0.71 | KMT2A (0.44) | ALDH1A1KMT2APOLBPKMPTPN1 | |
| SCHEMBL8141474 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KMT2APOLBPKMPTPN1 | |
| SCHEMBL6735674 | 0.67 | — | — | |
| SCHEMBL5696508 | 0.66 | — | — | |
| SCHEMBL525254 | 0.66 | — | — | |
| SCHEMBL29950856 | 0.66 | — | — | |
| SCHEMBL9984097 | 0.66 | — | — | |
| SCHEMBL10618802 | 0.66 | — | — |
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-0537996-A1 | Avermectin compounds with a 6,5-spiroketal ring system and a 23-acyl substituent | MERCK & CO. INC. (US) | 1993-04-21 | — | — | EP | disclosed |
| US-5171742-A | Avermectin compounds with a 6,5-spiroketal ring system ad a 23-acyl substituent | MERCK & CO., INC. (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0503885-A1 | Avermectin compounds with a 6,5-spiroketal ring system | MERCK & CO. INC. (US) | 1992-09-16 | — | — | EP | disclosed |