Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8801308 | 1.00 | HTT (0.42) | HTTTSHRSSTR4HDAC3HDAC1 | |
| SCHEMBL13946950 | 0.87 | TSHR (0.38) | HTTTSHRSSTR4HDAC3HDAC1 | |
| SCHEMBL4026261 | 0.87 | TSHR (0.41) | HTTTSHRSSTR4HDAC3HDAC1 | |
| SCHEMBL4022599 | 0.83 | TSHR (0.39) | TSHRSSTR4HDAC3HDAC1HDAC2 | |
| SCHEMBL7553983 | 0.81 | MAPT (0.42) | HTTTSHRCYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL11220671 | 0.75 | KIF11 (0.50) | KIF11SLC6A2CYP3A4KMT2ASMN1; SMN2 | |
| SCHEMBL13946948 | 0.75 | TSHR (0.41) | TSHRSSTR4HDAC3HDAC1HDAC2 | |
| SCHEMBL8443184 | 0.74 | KMT2A (0.52) | TSHRSSTR4HDAC3HDAC1HDAC2 | |
| SCHEMBL28778794 | 0.74 | TSHR (0.40) | TSHRSSTR4KIF11SLC6A2SLC6A4 | |
| SCHEMBL20746904 | 0.73 | TSHR (0.41) | HTTTSHRCYP2C19ALDH1A1SLC6A2 |
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-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |