Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272507 | 0.81 | MEN1 (0.43) | POLBSMN1; SMN2RAB9ATP53ALDH1A1 | |
| SCHEMBL14349272 | 0.80 | ACKR3 (0.43) | ACKR3USP30NR1H4S1PR1POLB | |
| SCHEMBL4213876 | 0.79 | ACKR3 (0.53) | ACKR3USP30S1PR1POLBCASP3 | |
| SCHEMBL14375423 | 0.77 | CKS1B (0.56) | ACKR3USP30OPRK1 | |
| SCHEMBL8272245 | 0.77 | CKS1B (0.56) | ACKR3USP30OPRK1 | |
| SCHEMBL4230456 | 0.75 | POLB (0.43) | USP30NR1H4POLBCASP3SENP7 | |
| SCHEMBL8273458 | 0.72 | POLB (0.53) | USP30NR1H4S1PR1POLBCASP3 | |
| SCHEMBL8271794 | 0.70 | PAK1 (0.46) | — | |
| SCHEMBL5659145 | 0.70 | PAK1 (0.46) | — | |
| SCHEMBL27792969 | 0.68 | LMNA (0.55) | NR1H4POLBALDH1A1L3MBTL1GAA |
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-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | WO | disclosed |