Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2646794 | 0.84 | SLC6A2 (0.39) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL6631373 | 0.83 | NPC1 (0.37) | NPC1RAB9AMAPTALDH1A1TSHR | |
| SCHEMBL12068487 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNATSHRGRM5 | |
| SCHEMBL1516145 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNATSHRGRM5 | |
| SCHEMBL16969029 | 0.82 | ALDH1A1 (0.36) | NPC1RAB9AALDH1A1TSHRHTT | |
| SCHEMBL4066868 | 0.81 | ALDH1A1 (0.39) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| Hydrochloric Acid SCHEMBL68317 | 0.81 | ALDH1A1 (0.53) | HSP90AA1ALDH1A1LMNATSHRHTT | |
| SCHEMBL4062782 | 0.81 | KMT2A (0.45) | MGLLNPC1RAB9AMAPTPOLB | |
| SCHEMBL15286386 | 0.80 | ALDH1A1 (0.41) | NPC1RAB9AMAPTPOLBHSP90AA1 | |
| SCHEMBL17338815 | 0.80 | MIF (0.46) | AKR1C3ALDH1A1LMNAHTTSMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3154941-A1 | SMALL MOLECULE LFA-1 INHIBITORS | AlloCyte Pharmaceuticals AG (CH) | 2017-04-19 | — | — | EP | disclosed |
| EP-3016946-A1 | SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics, Inc. (US) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015189265-A1 | SMALL MOLECULE LFA-1 INHIBITORS | ALLOCYTE PHARMACEUTICALS AG (CH) | 2015-12-17 | — | — | WO | disclosed |
| WO-2015003166-A1 | SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2015-01-08 | — | — | WO | disclosed |
| EP-2049118-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008011551-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-24 | — | — | WO | disclosed |
| EP-1421074-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003010158-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-02-06 | — | — | WO | disclosed |