Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13249617 | 0.77 | AKR1C3 (0.55) | MAPTPTGS2CYP1A2ALOX5CYP2A6 | |
| SCHEMBL27634482 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1KMT2AUSP2 | |
| SCHEMBL28007674 | 0.73 | — | — | |
| SCHEMBL2125714 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP1A1CYP1B1KMT2ACYP19A1 | |
| SCHEMBL1133802 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1B1KMT2AUSP2 | |
| SCHEMBL9068972 | 0.72 | HTT (0.41) | ALDH1A1KMT2AMAPTNQO2CYP1A2 | |
| SCHEMBL5497959 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CYP1A1CYP1B1KMT2AUSP2 | |
| SCHEMBL5897956 | 0.72 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1KMT2AUSP2 | |
| SCHEMBL40553 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1B1KMT2AESR1 | |
| SCHEMBL27643039 | 0.71 | KMT2A (0.44) | ALDH1A1KMT2APTGS2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108976272-A | The disubstituted 19- norpregna hydride compounds of 3,3-, composition, and application thereof | 萨奇治疗股份有限公司 | 2018-12-11 | — | — | CN | disclosed |
| CN-107936076-A | Neuroactive steroids, composition, and application thereof | 萨奇治疗股份有限公司 | 2018-04-20 | — | — | CN | disclosed |