Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 2/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15244401 | 0.90 | ALDH1A1 (0.57) | HTTSMN1; SMN2LTA4HPTGS2PTGS1 | |
| SCHEMBL14453651 | 0.88 | SMN1; SMN2 (0.63) | HTTSMN1; SMN2LTA4HPTGS2PTGS1 | |
| SCHEMBL3214392 | 0.88 | NPC1 (0.55) | SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL15728429 | 0.88 | ALDH1A1 (0.59) | HTTSMN1; SMN2LTA4HPTGS2PTGS1 | |
| SCHEMBL5476571 | 0.86 | LTA4H (0.56) | SMN1; SMN2LTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL4192478 | 0.86 | LTA4H (0.56) | SMN1; SMN2LTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL447689 | 0.85 | CYP2D6 (0.59) | HTTSMN1; SMN2LTA4HPTGS2PTGS1 | |
| SCHEMBL1929880 | 0.85 | LTA4H (0.57) | SMN1; SMN2LTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL264564 | 0.85 | LTA4H (0.57) | SMN1; SMN2LTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL4022237 | 0.85 | LTA4H (0.57) | SMN1; SMN2LTA4HPTGS2PTGS1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102796075-A | Benzocycloheptenes derivative as well as preparation method and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2012-11-28 | — | — | CN | disclosed |