Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9440147 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL17117158 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL13335119 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL12259115 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL4635995 | 0.78 | KDM4E (0.50) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL23630644 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL13695139 | 0.76 | TSHR (0.45) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL21586164 | 0.76 | ERN1 (0.49) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL18430474 | 0.76 | ALDH1A1 (0.80) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL26510407 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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-2012003478-A2 | DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY | VENTANA MEDICAL SYSTEMS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |