Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.63 |
| ▸ | MLYCD | O95822 | 3/20 | 0.55 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28746553 | 0.83 | MLYCD (0.54) | TACR1MLYCDCES2MAPTALDH1A1 | |
| SCHEMBL11006983 | 0.81 | TACR1 (0.57) | TACR1P2RX1CES2MAPT | |
| SCHEMBL18935755 | 0.80 | MLYCD (0.50) | TACR1MLYCDALDH1A1 | |
| SCHEMBL15397669 | 0.79 | TACR1 (0.59) | TACR1P2RX1CES2MAPTPOLQ | |
| SCHEMBL12435510 | 0.78 | TACR1 (0.54) | TACR1MLYCDP2RX1CES2MAPT | |
| SCHEMBL11406952 | 0.75 | TACR1 (0.60) | TACR1P2RX1CES2POLQ | |
| SCHEMBL12513373 | 0.75 | TACR1 (0.51) | TACR1MLYCDP2RX1HDAC8CES2 | |
| SCHEMBL12587114 | 0.74 | TACR1 (0.50) | TACR1P2RX1CES2MAPTPOLQ | |
| SCHEMBL4555019 | 0.72 | MAPT (0.56) | TACR1MLYCDP2RX1MAPTALDH1A1 | |
| SCHEMBL12435720 | 0.72 | TACR1 (0.50) | TACR1MLYCDP2RX1HDAC8CES2 |
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-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | claimed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | claimed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |