Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14814142 | 0.85 | ALDH1A1 (0.45) | NPSR1HCAR2ALDH1A1TRPA1GLO1 | |
| SCHEMBL9471296 | 0.83 | NPSR1 (0.42) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL9628973 | 0.83 | NPSR1 (0.42) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL11398954 | 0.83 | NPSR1 (0.42) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL4795564 | 0.81 | FAAH (0.44) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL7772532 | 0.80 | NPSR1 (0.47) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL7774727 | 0.80 | NPSR1 (0.47) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL703761 | 0.80 | NPSR1 (0.47) | NPSR1HCAR2ALDH1A1GLO1CYP2D6 | |
| SCHEMBL27619470 | 0.80 | FAAH (0.50) | NPSR1ALDH1A1MEN1KMT2AFAAH | |
| SCHEMBL27645522 | 0.79 | ALDH1A1 (0.39) | NPSR1ALDH1A1TRPA1GLO1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5627170-A | Phosphonic acid compound containing heterocyclic substituents, pharmaceutical composition contains same and a method of treating calcium metabolism disturbance | BOEHRINGER MANNHEIM GMBH (DE) | 1997-05-06 | — | — | US | disclosed |
| US-5538957-A | OSTEOPOROSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-07-23 | — | — | US | disclosed |