Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16143195 | 1.00 | XIAP (0.44) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL15739324 | 1.00 | XIAP (0.44) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL3444557 | 0.90 | XIAP (0.54) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL20800068 | 0.90 | XIAP (0.54) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL15200531 | 0.90 | XIAP (0.54) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL10042787 | 0.90 | XIAP (0.54) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL19370386 | 0.89 | XIAP (0.45) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL16142993 | 0.89 | XIAP (0.43) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL10063536 | 0.89 | XIAP (0.43) | XIAPCYP3A4CYP2D6POLBCTSK | |
| SCHEMBL18908599 | 0.88 | XIAP (0.42) | XIAPCYP3A4CYP2D6POLBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2831059-B1 | PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF | ENDOCYTE INC (US) | 2017-11-29 | — | — | EP | disclosed |