Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CA2 | P00918 | 4/20 | 0.63 |
| ▸ | CA12 | O43570 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | CA5A | P35218 | 1/20 | 0.63 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL69649 | 0.86 | — | — | |
| Resorcinol SCHEMBL1449408 | 0.80 | CA2 (0.75) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Resorcinol SCHEMBL15515 | 0.80 | — | — | |
| Resorcinol SCHEMBL326229 | 0.80 | CA12 (1.00) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Pyrogallol SCHEMBL8833424 | 0.78 | ALDH1A1 (0.71) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Pyrogallol SCHEMBL999213 | 0.78 | ALDH1A1 (0.71) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Resorcinol SCHEMBL27914098 | 0.77 | ALDH1A1 (0.80) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Resorcinol SCHEMBL563023 | 0.76 | CA12 (0.92) | ALDH1A1CA2CA12CA9CYP3A4 | |
| Resorcinol SCHEMBL8829963 | 0.76 | — | — | |
| Resorcinol SCHEMBL20577903 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1370546-A2 | NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS | Abbott Laboratories (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002074758-A2 | NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS | ABBOTT LABORATORIES (US) | 2002-09-26 | — | — | WO | disclosed |