Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | GABRP | O00591 | 4/20 | 0.40 |
| ▸ | GABRD | O14764 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.40 |
| ▸ | GABRE | P78334 | 4/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2751855 | 0.81 | SIRT1 (0.33) | NOTUM | |
| SCHEMBL17028958 | 0.79 | TDO2 (0.42) | IDO1NOTUMGABRPGABRDGABRA1 | |
| SCHEMBL17028877 | 0.78 | NOTUM (0.45) | IDO1NOTUMKDM4E | |
| SCHEMBL4179731 | 0.77 | NPC1 (0.39) | NOTUMGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL500129 | 0.77 | ALOX15 (0.41) | NOTUMKDM4EMEN1KMT2A | |
| SCHEMBL2752150 | 0.71 | SLC9A1 (0.36) | RPS6KB1KDM4EMEN1KMT2A | |
| SCHEMBL5474340 | 0.70 | NR4A1 (0.44) | NR4A1NR4A2NR4A3IDO1NOTUM | |
| SCHEMBL1897911 | 0.69 | TAAR1 (0.48) | IDO1NOTUMGABRG2GABRB3GABRA5 | |
| SCHEMBL2752047 | 0.69 | AHR (0.46) | NOTUMMAPT | |
| SCHEMBL9955698 | 0.69 | MEN1 (0.64) | NR4A1NR4A2NR4A3IDO1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |