Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL3179826 | 1.00 | TDP1 (0.43) | TDP1NOTUMLMNASMN1; SMN2TAAR1 | |
| SCHEMBL3180201 | 1.00 | TDP1 (0.43) | TDP1NOTUMLMNASMN1; SMN2TAAR1 | |
| SCHEMBL4983554 | 0.77 | LMNA (0.39) | LMNAALDH1A1SLC6A3 | |
| SCHEMBL3477143 | 0.77 | LMNA (0.39) | LMNAALDH1A1SLC6A3 | |
| SCHEMBL5215996 | 0.75 | SLC6A3 (0.46) | TDP1LMNASMN1; SMN2KDM4ESLC6A3 | |
| SCHEMBL5220468 | 0.75 | SLC6A3 (0.46) | TDP1LMNASMN1; SMN2KDM4ESLC6A3 | |
| SCHEMBL5216002 | 0.75 | SLC6A3 (0.46) | TDP1LMNASMN1; SMN2KDM4ESLC6A3 | |
| SCHEMBL7829172 | 0.74 | MEN1 (0.50) | LMNASMN1; SMN2KMT2AMEN1EDNRA | |
| SCHEMBL8390909 | 0.74 | MEN1 (0.50) | LMNASMN1; SMN2KMT2AMEN1EDNRA | |
| SCHEMBL2887774 | 0.71 | NOTUM (0.41) | TDP1NOTUMLMNASMN1; SMN2TAAR1 |
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-1898905-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007002457-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| EP-1711465-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005073191-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | disclosed |