Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14136388 | 0.83 | PDK1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL11065023 | 0.81 | MEN1 (0.46) | ALDH1A1MAPK1MEN1KMT2AMAPT | |
| SCHEMBL31540262 | 0.81 | HSPB1 (0.51) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL11295773 | 0.80 | ALDH1A1 (0.63) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL16956993 | 0.80 | PDK1 (0.40) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL15857842 | 0.80 | S100A4 (0.42) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL14553750 | 0.80 | TSHR (0.59) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL10956832 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL13637143 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL1414763 | 0.78 | ALDH5A1 (0.53) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019063708-A1 | SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2019-04-04 | — | — | WO | disclosed |
| WO-2019063704-A1 | SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2019-04-04 | — | — | WO | disclosed |