Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TMPRSS4 | Q9NRS4 | 9/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MYLK | Q15746 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27835356 | 0.83 | AKR1C4 (0.41) | KDM4ETMPRSS4P2RX1KDRMEN1 | |
| SCHEMBL11627576 | 0.83 | TMPRSS4 (0.39) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL11626984 | 0.80 | CYP3A4 (0.38) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL927354 | 0.76 | TMPRSS4 (0.50) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL110827 | 0.76 | RAB9A (0.49) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL22164127 | 0.73 | CES2 (0.47) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL816784 | 0.72 | CES2 (0.35) | RAB9ACYP1A2CYP2D6CYP2C19KDR | |
| SCHEMBL2189933 | 0.72 | LMNA (0.46) | P2RX7SMN1; SMN2 | |
| SCHEMBL28208232 | 0.72 | CES2 (0.41) | TMPRSS4P2RX1KDRMEN1IKBKB | |
| SCHEMBL31591119 | 0.70 | TMPRSS4 (0.41) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E |
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-109928967-A | A kind of cyclisation berberinc derivate and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2019-06-25 | — | — | CN | disclosed |
| CN-104496930-B | A kind of optical purity Aprepitant bulk drug intermediate preparation method | JIANGSU ALPHA PHARMACEUTICAL CO., LTD. (CN) | 2016-05-25 | — | — | CN | disclosed |