Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24747408 | 0.81 | ALDH1A1 (0.38) | ALDH1A1HPGDLMNACYP1A2TP53 | |
| SCHEMBL11198613 | 0.79 | KMT2A (0.38) | ALDH1A1HPGDLMNATSHRTP53 | |
| SCHEMBL30132112 | 0.72 | FSCN1 (0.48) | ALDH1A1LMNATSHRNOTUMMAPT | |
| SCHEMBL27533551 | 0.72 | LMNA (0.41) | ALDH1A1HPGDLMNACYP1A2NPSR1 | |
| SCHEMBL10441682 | 0.71 | ALDH1A1 (0.40) | ALDH1A1LMNACYP1A2TSHRCYP2D6 | |
| SCHEMBL273919 | 0.71 | KMT2A (0.46) | ALDH1A1HPGDLMNACYP1A2TSHR | |
| SCHEMBL28433094 | 0.68 | GAA (0.42) | ALDH1A1LMNACYP1A2TSHRCYP2D6 | |
| 1,2-Dichlorobenzene SCHEMBL27424992 | 0.67 | ALDH1A1 (0.52) | ALDH1A1HPGDGSRLMNACYP1A2 | |
| SCHEMBL28963581 | 0.67 | THRB (0.42) | ALDH1A1HPGDGSRLMNATSHR | |
| SCHEMBL21592410 | 0.67 | S1PR4 (0.47) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A |
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-2022256680-A1 | PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS WEE1 KINASE INHIBITORS | ATRIN PHARMACEUTICALS (US) | 2022-12-08 | — | — | WO | disclosed |