Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CTH | P32929 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8842713 | 0.93 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBALOX15CYP1A2 | |
| Bicarbonate SCHEMBL8843256 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRTHRBALOX15CYP1A2 | |
| Acetic Acid SCHEMBL30424912 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TSHRTHRBALOX15CYP1A2 | |
| Acetic Acid SCHEMBL28100343 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRBALOX15CYP1A2 | |
| SCHEMBL24181348 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL16329701 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL16024536 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL19977982 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL22806766 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL17144054 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRTHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111138435-A | Modified methotrexate and preparation method and application thereof | 宜昌博仁凯润药业有限公司 | 2020-05-12 | — | — | CN | claimed |
| CN-116854667-A | Proteolytic targeted chimera for targeted degradation of PD-L1 and application thereof | 浙江工业大学 | 2023-10-10 | — | — | CN | disclosed |
| CN-111138435-A | Modified methotrexate and preparation method and application thereof | 宜昌博仁凯润药业有限公司 | 2020-05-12 | — | — | CN | disclosed |