Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.36 |
| ▸ | FEN1 | P39748 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10682225 | 0.80 | MAPK1 (0.55) | MAPK1ALDH1A1TSHRRAB9AL3MBTL1 | |
| SCHEMBL10674136 | 0.78 | CYP1A2 (0.55) | MAPK1ALDH1A1TSHRRAB9AGAA | |
| SCHEMBL10679952 | 0.77 | MAPK1 (0.51) | MAPK1ALDH1A1TSHRRAB9AGAA | |
| SCHEMBL10741890 | 0.73 | MAPK1 (0.38) | MAPK1ALDH1A1GAASMN1; SMN2NPSR1 | |
| SCHEMBL11282464 | 0.72 | MAPK1 (0.37) | MAPK1ALDH1A1GAASMN1; SMN2NPSR1 | |
| SCHEMBL9698514 | 0.67 | ALDH1A1 (0.49) | MAPK1ALDH1A1TSHRHTTGAA | |
| SCHEMBL9084403 | 0.66 | MAPK1 (0.71) | MAPK1ALDH1A1TSHRRAB9AL3MBTL1 | |
| SCHEMBL10676066 | 0.65 | GAA (0.46) | MAPK1ALDH1A1TSHRRAB9AL3MBTL1 | |
| SCHEMBL1862779 | 0.64 | ALDH1A1 (0.49) | MAPK1ALDH1A1TSHRHTTRAB9A | |
| SCHEMBL6357561 | 0.64 | DRD3 (0.51) | MAPK1ALDH1A1TSHRHTTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4657908-A | Carbonyl derivatives | ICI AMERICAS, INC. (US) | 1987-04-14 | — | — | US | disclosed |
| EP-0059597-B1 | GUANIDINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES HAVING HISTAMINE H-2 ANTAGONIST ACTIVITY | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-23 | — | — | EP | disclosed |
| US-4496571-A | GUANIDINE DERIVATIVE | ICI AMERICAS INC. (US) | 1985-01-29 | — | — | US | disclosed |
| EP-0059597-A2 | Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-08 | — | — | EP | disclosed |