Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5634810 | 0.89 | DRD2 (0.38) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL5634802 | 0.89 | DRD2 (0.38) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL5634808 | 0.89 | DRD2 (0.38) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL1912803 | 0.89 | DRD2 (0.38) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL647654 | 0.88 | CHRNB4 (0.36) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL647655 | 0.88 | CHRNB4 (0.36) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL647653 | 0.88 | CHRNB4 (0.36) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL650936 | 0.76 | TSHR (0.41) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL1912801 | 0.76 | TSHR (0.41) | TSHRKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL1913529 | 0.72 | TSHR (0.39) | TSHRCD274PDCD1SPHK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8119665-B2 | Aryl imidazoles and related compounds as C5a receptor modulators | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-02-21 | — | — | US | disclosed |