Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8526111 | 0.91 | TMEM97 (0.38) | TMEM97SIGMAR1OPRK1CTSKS1PR2 | |
| SCHEMBL8664607 | 0.78 | HDAC1 (0.44) | HDAC1HDAC6 | |
| SCHEMBL8526939 | 0.77 | OPRK1 (0.34) | TMEM97SIGMAR1OPRK1CTSKS1PR2 | |
| SCHEMBL8526191 | 0.76 | F7 (0.42) | TMEM97SIGMAR1HDAC1HDAC6 | |
| SCHEMBL27576022 | 0.75 | CTSK (0.39) | CTSKHDAC1HDAC6 | |
| SCHEMBL8528194 | 0.75 | F7 (0.40) | TMEM97SIGMAR1HDAC1HDAC6 | |
| SCHEMBL8526482 | 0.74 | KMT2A (0.40) | HDAC1 | |
| SCHEMBL11125233 | 0.73 | KMT2A (0.40) | TMEM97SIGMAR1OPRK1CTSK | |
| SCHEMBL9203013 | 0.73 | F7 (0.45) | TMEM97SIGMAR1HDAC1HDAC6 | |
| SCHEMBL8528338 | 0.73 | CCR2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |