Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 9/20 | 0.77 |
| ▸ | MAOB | P27338 | 2/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5008342 | 0.90 | NPC1 (0.68) | MIFMAOBESR2RAB9AALDH1A1 | |
| SCHEMBL5935032 | 0.87 | MIF (0.69) | MIFMAOBESR2RAB9AALDH1A1 | |
| SCHEMBL1325165 | 0.87 | MIF (1.00) | MIFMAOBESR2RAB9AALDH1A1 | |
| SCHEMBL12813480 | 0.86 | MIF (0.63) | MIFMAOBRAB9AALDH1A1KDM4E | |
| SCHEMBL7124667 | 0.85 | KDM4E (0.75) | MIFMAOBESR2RAB9AALDH1A1 | |
| SCHEMBL5934958 | 0.84 | NPC1 (0.75) | MIFMAOBRAB9AMEN1KMT2A | |
| SCHEMBL11823066 | 0.84 | MIF (0.64) | MIFMAOBESR2RAB9AALDH1A1 | |
| SCHEMBL5935133 | 0.80 | CYP19A1 (0.75) | MIFMAOBRAB9AALDH1A1KDM4E | |
| SCHEMBL18523591 | 0.79 | NPC1 (0.77) | MIFMAOBRAB9AALDH1A1KDM4E | |
| SCHEMBL15066622 | 0.78 | MAOB (0.55) | MIFMAOBALDH1A1KDM4EMEN1 |
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-105272972-A | Benzoheterocyclic hexadiene derivative having anti-virus activity | SHANGHAI TANGRUN PHARMACEUTICALS CO LTD | 2016-01-27 | — | — | CN | disclosed |