Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11008090 | 0.77 | ALDH1A1 (0.45) | L3MBTL1SMN1; SMN2MAPTCYP1A2KDM4E | |
| SCHEMBL11004813 | 0.73 | SRD5A2 (0.46) | L3MBTL1SMN1; SMN2MAPTKDM4ERAB9A | |
| SCHEMBL28470912 | 0.72 | TDP1 (0.38) | ADORA2ASMN1; SMN2MAPTCYP1A2KDM4E | |
| SCHEMBL371069 | 0.71 | TSHR (0.54) | CCND3CDK6SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL5536914 | 0.70 | L3MBTL1 (0.46) | ADORA2AADORA1CCND3CDK6L3MBTL1 | |
| SCHEMBL29768708 | 0.69 | TDP1 (0.57) | ADORA2ASMN1; SMN2MAPTCYP1A2KDM4E | |
| SCHEMBL3793535 | 0.69 | TDP1 (0.57) | ADORA2ASMN1; SMN2MAPTCYP1A2KDM4E | |
| SCHEMBL7848928 | 0.69 | ATM (0.47) | ADORA2AADORA1CCND3CDK6L3MBTL1 | |
| SCHEMBL9204448 | 0.69 | KDM4E (0.46) | ADORA2AADORA1CCND3CDK6L3MBTL1 | |
| SCHEMBL11008802 | 0.69 | GRM5 (0.51) | ADORA2AADORA1L3MBTL1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4512991-A | 3-Acyl-2-amino-5-halo-6-(substituted)pyrazine antimicrobial compounds | MERCK & CO., INC. (US) | 1985-04-23 | — | — | US | disclosed |