Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGM | P11217 | 12/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867574 | 0.90 | PYGM (0.53) | PYGMHPGD | |
| SCHEMBL30234578 | 0.83 | POLB (0.52) | HPGDALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23867477 | 0.83 | POLB (0.52) | HPGDALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23867508 | 0.81 | ALDH1A1 (0.55) | PYGMHPGDALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL23867525 | 0.74 | HTR2A (0.49) | HPGDALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23867575 | 0.72 | PYGM (0.51) | PYGMHPGDALDH1A1TSHR | |
| SCHEMBL5547072 | 0.70 | PYGM (0.81) | PYGMHPGDALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5550323 | 0.70 | PYGM (0.98) | PYGMHPGDSMN1; SMN2RAB9AMAPK1 | |
| SCHEMBL5547110 | 0.70 | PYGM (0.87) | PYGMHPGDALDH1A1MAPK1 | |
| SCHEMBL5545757 | 0.70 | PYGM (1.00) | PYGMHPGDALDH1A1MAPK1 |
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-2021195279-A2 | SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2021-09-30 | — | — | WO | disclosed |