Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.55 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 5/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL668837 | 0.84 | MRGPRX4 (0.56) | MRGPRX4PTGER1HMGB1TSHRKDM4E | |
| SCHEMBL1521052 | 0.82 | TP53 (0.56) | MRGPRX4TSHRIDO1ALDH1A1 | |
| SCHEMBL18049144 | 0.80 | HMGB1 (0.51) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| Benzene SCHEMBL28861692 | 0.80 | CLCN2 (0.54) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| SCHEMBL622225 | 0.80 | CLCN2 (0.54) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| Hydrochloric Acid SCHEMBL8887733 | 0.79 | HMGB1 (0.50) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| SCHEMBL2652419 | 0.78 | PDCD1 (0.53) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| SCHEMBL6617739 | 0.77 | MRGPRX4 (0.51) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| SCHEMBL7963839 | 0.77 | FOLH1 (0.52) | MRGPRX4PTGER1HMGB1TSHRMYC | |
| SCHEMBL8179315 | 0.77 | AKR1B1 (0.48) | MRGPRX4HMGB1TSHRKDM4EHSD17B10 |
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-2019051198-A1 | PRODRUG INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) | LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) | 2019-03-14 | — | — | WO | disclosed |