Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | SYK | P43405 | 3/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21383273 | 0.83 | KDM4E (0.49) | KMT2ACA1CA2TDP1L3MBTL1 | |
| SCHEMBL204895 | 0.75 | MAPK1 (0.61) | KMT2ACA1CA2TDP1L3MBTL1 | |
| SCHEMBL29695095 | 0.75 | MAPK1 (0.61) | KMT2ACA1CA2TDP1L3MBTL1 | |
| SCHEMBL31734678 | 0.75 | CSF1R (0.45) | SYKKMT2ACA1CA2ALDH1A1 | |
| SCHEMBL15878428 | 0.74 | TAS1R3 (0.52) | KMT2ATDP1L3MBTL1ALDH1A1TSHR | |
| SCHEMBL19808813 | 0.74 | LMNA (0.47) | MTNR1AMTNR1BKMT2ACA1CA2 | |
| SCHEMBL1439028 | 0.74 | MAPK1 (0.59) | KMT2ACA1CA2TDP1L3MBTL1 | |
| SCHEMBL8891941 | 0.74 | MAPT (0.58) | KMT2ACA1CA2ALDH1A1LMNA | |
| SCHEMBL31371258 | 0.74 | MAPT (0.58) | KMT2ACA1CA2ALDH1A1LMNA | |
| SCHEMBL7456563 | 0.73 | MAPT (0.59) | KMT2AL3MBTL1LMNATSHRMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019182938-A1 | AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |