Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | RBP4 | P02753 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | STK3 | Q13188 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22717519 | 0.81 | KMT2A (0.62) | KMT2ARBP4TTRMYCFFAR2 | |
| SCHEMBL29574339 | 0.81 | KMT2A (0.62) | KMT2ARBP4TTRMYCFFAR2 | |
| SCHEMBL5593096 | 0.80 | FFAR2 (0.39) | MYCSTK3LRRK2STK26FFAR2 | |
| SCHEMBL353809 | 0.76 | KMT2A (0.65) | KMT2AMYCKDM4ECYP3A4MEN1 | |
| SCHEMBL29574622 | 0.76 | KMT2A (0.65) | KMT2AMYCKDM4ECYP3A4MEN1 | |
| SCHEMBL24297726 | 0.73 | KMT2A (0.68) | KMT2ARBP4TTRMYCOPRK1 | |
| SCHEMBL16034182 | 0.73 | KMT2A (0.68) | KMT2ARBP4TTRMYCOPRK1 | |
| Nitrous Acid SCHEMBL28573054 | 0.72 | KMT2A (0.59) | KMT2AMYCKDM4ECYP3A4MEN1 | |
| SCHEMBL22717655 | 0.72 | KMT2A (0.59) | KMT2AMYCCYP3A4MEN1CYP1A2 | |
| SCHEMBL3309889 | 0.72 | KMT2A (0.70) | KMT2AMYCKDM4ECYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108200760-A | BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS | 英安塔制药有限公司 | 2018-06-22 | — | — | CN | disclosed |