Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1848757 | 0.79 | PKM (0.50) | ALDH1A1PKMSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6449861 | 0.78 | CYP3A4 (0.58) | ALDH1A1PKMSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL4458878 | 0.76 | PKM (0.58) | ALDH1A1PKMSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL5042317 | 0.74 | CYP3A4 (0.58) | ALDH1A1PKMSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL38661039 | 0.74 | CES2 (0.58) | ALDH1A1PKMSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6714110 | 0.73 | KDM4E (0.54) | ALDH1A1PKMKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL6714109 | 0.73 | KDM4E (0.54) | ALDH1A1PKMKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL15364436 | 0.71 | GRM5 (0.45) | ALDH1A1PKMKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL9843696 | 0.71 | HPGD (0.48) | ALDH1A1PKMKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL1515056 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590981-B1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA AS (DK) | 2014-09-03 | — | — | EP | claimed |
| EP-2590981-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | Leo Pharma A/S (DK) | 2013-05-15 | — | — | EP | claimed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | claimed |
| EP-2590981-B1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA AS (DK) | 2014-09-03 | — | — | EP | disclosed |
| EP-2590981-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | Leo Pharma A/S (DK) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | disclosed |