Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL963755 | 0.81 | PDE2A (0.58) | KIF11ALDH1A1TSHRTAAR1PDE2A | |
| SCHEMBL1704315 | 0.80 | KCNN4 (0.41) | KIF11ALDH1A1PDE2A | |
| SCHEMBL1704452 | 0.80 | KCNN4 (0.41) | KIF11ALDH1A1PDE2A | |
| Hydrochloric Acid SCHEMBL18920592 | 0.79 | PDE2A (0.56) | KIF11ALDH1A1TSHRTAAR1PDE2A | |
| SCHEMBL23590587 | 0.78 | TSHR (0.52) | KIF11ALDH1A1TSHRTAAR1IDO1 | |
| SCHEMBL5323279 | 0.78 | TSHR (0.52) | KIF11ALDH1A1TSHRTAAR1IDO1 | |
| SCHEMBL5327271 | 0.78 | TSHR (0.52) | KIF11ALDH1A1TSHRTAAR1IDO1 | |
| SCHEMBL3661955 | 0.77 | TSHR (0.55) | KIF11ALDH1A1TSHRTAAR1PDE2A | |
| SCHEMBL3980605 | 0.77 | TSHR (0.55) | KIF11ALDH1A1TSHRTAAR1PDE2A | |
| SCHEMBL19981810 | 0.77 | TSHR (0.55) | KIF11ALDH1A1TSHRTAAR1PDE2A |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |
| EP-2148870-A1 | PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008130584-A1 | PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |