Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 4/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL231585 | 0.80 | OPRD1 (0.49) | OPRD1HTR2CHTR2BOPRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL10502202 | 0.78 | OPRD1 (0.48) | OPRD1HTR2CHTR2BOPRM1KCNH2 | |
| SCHEMBL23508682 | 0.76 | ALDH1A1 (0.35) | OPRD1HTR2CHTR2BOPRM1OPRK1 | |
| SCHEMBL23508680 | 0.76 | OPRD1 (0.38) | OPRD1HTR2CHTR2BHDAC3HDAC4 | |
| SCHEMBL30172181 | 0.74 | HTR2C (0.49) | HTR2CHTR2BHDAC3HDAC4HDAC1 | |
| SCHEMBL12569082 | 0.74 | HDAC3 (0.38) | OPRD1IRAK4HTR2CHTR2BHDAC3 | |
| SCHEMBL30529385 | 0.74 | HTR2C (0.49) | HTR2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3859304 | 0.74 | HTR2C (0.49) | HTR2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL863663 | 0.74 | HTR2C (0.46) | OPRD1HTR2CHDAC3HDAC4HDAC1 | |
| SCHEMBL1787224 | 0.74 | HTR2C (0.49) | HTR2CHTR2BHDAC3HDAC4HDAC1 |
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-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |