Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3983860 | 0.90 | SIGMAR1 (0.38) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL3992396 | 0.88 | SIGMAR1 (0.41) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL3988163 | 0.81 | TSHR (0.60) | L3MBTL1ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL3991413 | 0.81 | ALDH1A1 (0.42) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL9086683 | 0.80 | SIGMAR1 (0.46) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL2343211 | 0.79 | TSHR (0.59) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL3983733 | 0.79 | KDM4E (0.39) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3792219 | 0.78 | TSHR (0.58) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL3989721 | 0.75 | KDM4E (0.41) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL7967252 | 0.74 | CNR2 (0.46) | SIGMAR1L3MBTL1ALDH1A1KDM4ELMNA |
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-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |