Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315251 | 1.00 | HSD17B3 (0.58) | HSD17B3PKMSLC6A19MEN1KMT2A | |
| SCHEMBL322249 | 0.93 | HSD17B3 (0.67) | HSD17B3PKMSLC6A19MEN1KMT2A | |
| SCHEMBL1132527 | 0.93 | HSD17B3 (0.67) | HSD17B3PKMSLC6A19MEN1KMT2A | |
| SCHEMBL69618 | 0.81 | TTR (0.66) | MEN1KMT2ATTRAPPHTT | |
| SCHEMBL29247898 | 0.78 | HSD17B3 (0.73) | HSD17B3PKMSLC6A19KMT2AMAOB | |
| SCHEMBL1105481 | 0.78 | HSD17B3 (0.73) | HSD17B3PKMSLC6A19KMT2AMAOB | |
| SCHEMBL30963011 | 0.78 | HSD17B3 (0.73) | HSD17B3PKMSLC6A19KMT2AMAOB | |
| SCHEMBL17157974 | 0.78 | HSD17B3 (0.63) | HSD17B3PKMSLC6A19MEN1KMT2A | |
| SCHEMBL17157975 | 0.78 | HSD17B3 (0.63) | HSD17B3PKMSLC6A19MEN1KMT2A | |
| SCHEMBL2500242 | 0.77 | CYP1A2 (0.67) | MEN1KMT2ANPC1RAB9AMAOB |
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-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |