Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6323640 | 0.90 | IDO1 (0.53) | IDO1LMNAGAAMAPTALOX12 | |
| SCHEMBL6307102 | 0.83 | CA12 (0.52) | IDO1LMNAGAAMAPTNPSR1 | |
| SCHEMBL26992715 | 0.82 | IDO1 (0.44) | IDO1LMNAGAAMAPTNPSR1 | |
| SCHEMBL28355289 | 0.81 | IDO1 (0.67) | IDO1HTTLMNAGAAMAPT | |
| SCHEMBL10936011 | 0.81 | IDO1 (0.55) | IDO1LMNAALOX12CA12CA1 | |
| SCHEMBL26992717 | 0.81 | IDO1 (0.46) | IDO1LMNANPSR1CA12CA1 | |
| SCHEMBL7023299 | 0.81 | LPL (0.52) | HTTLMNANPSR1CA12CA1 | |
| SCHEMBL11540519 | 0.80 | IDO1 (0.48) | IDO1GAACA12CA1CA2 | |
| SCHEMBL26963101 | 0.78 | IDO1 (0.65) | IDO1LMNAGAAMAPTALOX12 | |
| SCHEMBL6313221 | 0.77 | HTT (0.50) | IDO1HTTLMNAGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005061462-A2 | DIARYL PYRAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ-3 RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-07-07 | — | — | WO | disclosed |