Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 9/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | UGCG | Q16739 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SPIN1 | Q9Y657 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3207125 | 0.94 | CTSD (0.39) | CTSDSMN1; SMN2NPC1TP53GAA | |
| SCHEMBL3209339 | 0.87 | CTSD (0.57) | CTSDALDH1A1CYP3A4KDM4E | |
| SCHEMBL3198015 | 0.87 | CTSD (0.42) | CTSDALDH1A1SPIN1KDM4E | |
| SCHEMBL4715532 | 0.85 | CTSD (0.48) | CTSDALDH1A1KDM4E | |
| SCHEMBL4714175 | 0.85 | SIGMAR1 (0.44) | CTSDALDH1A1TACR1KDM4EMAPK1 | |
| SCHEMBL4718491 | 0.84 | CTSD (0.40) | CTSD | |
| SCHEMBL4718254 | 0.82 | CTSD (0.39) | CTSDGAAALDH1A1KDM4ELMNA | |
| Acetic Acid SCHEMBL3263693 | 0.81 | CTSD (0.44) | CTSDGAAALDH1A1KDM4ELMNA | |
| SCHEMBL4714576 | 0.81 | APLNR (0.38) | CTSDSMN1; SMN2NPC1TP53TSHR | |
| SCHEMBL4716955 | 0.81 | HCRTR1 (0.42) | CTSDCYP3A4 |
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-1917245-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS | Abbott GmbH & Co. KG (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007022946-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS | ABBOTT GMBH & CO. KG (DE) | 2007-03-01 | — | — | WO | disclosed |