Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 11/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7690020 | 1.00 | SMN1; SMN2 (0.52) | SMN1; SMN2CTSKCTSSHDAC4HDAC1 | |
| SCHEMBL4427686 | 0.91 | SMN1; SMN2 (0.55) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL7695305 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2CTSKCTSSHDAC4HDAC1 | |
| SCHEMBL701700 | 0.85 | SMN1; SMN2 (0.57) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL4371611 | 0.85 | SMN1; SMN2 (0.57) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL7769022 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2CTSKCTSSHDAC4HDAC1 | |
| SCHEMBL7769020 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2CTSKCTSSHDAC4HDAC1 | |
| SCHEMBL6722519 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL6722516 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL6719127 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 |
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-1105415-A1 | CHEMICAL SYNTHESIS OF EXOCHELINS | Keystone Biomedical, Inc. (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000009548-A1 | CHEMICAL SYNTHESIS OF EXOCHELINS | KEYSTONE BIOMEDICAL, INC. (US) | 2000-02-24 | — | — | WO | disclosed |