Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 5/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10559934 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2POLBKMT2A | |
| SCHEMBL10004861 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MAPK1SMN1; SMN2POLBKMT2A | |
| SCHEMBL20874087 | 0.78 | ALDH1A1 (0.33) | ALDH1A1MAPK1SMN1; SMN2PDE10ACYP3A4 | |
| SCHEMBL27650618 | 0.78 | ALDH1A1 (0.33) | ALDH1A1MAPK1SMN1; SMN2POLBKMT2A | |
| SCHEMBL11584237 | 0.77 | KDM4E (0.42) | ALDH1A1SMN1; SMN2TSHRHPGDKDM4E | |
| SCHEMBL3084611 | 0.76 | KDM4E (0.34) | ALDH1A1MAPK1SMN1; SMN2KMT2APDE10A | |
| Hydrochloric Acid SCHEMBL10559872 | 0.74 | ALDH1A1 (0.40) | ALDH1A1MAPK1SMN1; SMN2TSHRFABP3 | |
| SCHEMBL27584374 | 0.73 | ALDH1A1 (0.35) | ALDH1A1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL9655129 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPK1SMN1; SMN2POLBKMT2A | |
| SCHEMBL5909552 | 0.72 | TDP1 (0.37) | ALDH1A1MAPK1SMN1; SMN2KMT2ATSHR |
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-105439964-B | A kind of preparation method of avanaphil intermediate | 河北大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-104356192-B | Novel steroid androgen receptor inhibitors, and preparation method and medicinal application thereof | 中国药科大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-1313464-C | Substituted alkylamine derivatives and methods of use | AMGEN INC (US) | 2007-05-02 | — | — | CN | disclosed |