Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.34 |
| ▸ | ADK | P55263 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453369 | 0.86 | PSMB5 (0.41) | PSMB5BACE1HTTKDM4EGLA | |
| SCHEMBL22453567 | 0.80 | PSMB5 (0.45) | PSMB5BACE1HTTKDM4EGLA | |
| SCHEMBL22452583 | 0.80 | S100B (0.41) | PSMB5BACE1HTTKDM4EKMT2A | |
| SCHEMBL22452599 | 0.79 | PSMB5 (0.46) | PSMB5BACE1HTTKDM4EGLA | |
| SCHEMBL22452611 | 0.77 | PSMB5 (0.42) | PSMB5BACE1HTTKDM4EGLA | |
| SCHEMBL20210323 | 0.73 | SLC18A3 (0.46) | PSMB5BACE1HTTKMT2ASMN1; SMN2 | |
| SCHEMBL22453195 | 0.73 | SLC18A3 (0.44) | PSMB5BACE1HTTKDM4EGLA | |
| SCHEMBL20210335 | 0.72 | PSMB5 (0.40) | PSMB5BACE1HTTKMT2ASMN1; SMN2 | |
| SCHEMBL20210026 | 0.72 | SLC18A3 (0.41) | PSMB5BACE1HTTKMT2ASMN1; SMN2 | |
| SCHEMBL22452908 | 0.71 | PSMB5 (0.44) | PSMB5BACE1HTTKDM4EGLA |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |