Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSS | P25774 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 8/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29179927 | 0.89 | SIRT2 (0.58) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL30047061 | 0.89 | SIRT2 (0.58) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL14396102 | 0.89 | SIRT2 (0.58) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL18857044 | 0.89 | SMN1; SMN2 (0.62) | CYP1A2CYP2C9CYP2C19SMN1; SMN2CTSL | |
| SCHEMBL29144124 | 0.87 | CTSL (0.58) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL5479230 | 0.87 | SIRT2 (0.63) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL28370653 | 0.86 | CTSL (0.62) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL5475100 | 0.86 | SIRT2 (0.50) | CTSKCTSLCTSSSIRT2SIRT1 | |
| SCHEMBL15804479 | 0.84 | SIRT2 (0.63) | SMN1; SMN2CTSLCTSSSIRT2SIRT1 | |
| SCHEMBL19569920 | 0.83 | POLB (0.61) | SMN1; SMN2CTSKCTSLCTSS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1482896-A4 | AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-11-23 | — | — | EP | disclosed |
| EP-1482895-A4 | AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-1482896-A2 | AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-12-08 | — | — | EP | disclosed |
| EP-1482895-A2 | AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-12-08 | — | — | EP | disclosed |