Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 10/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.39 |
| ▸ | MAPT | P10636 | 10/20 | 0.39 |
| ▸ | BLM | P54132 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.39 |
| ▸ | RECQL | P46063 | 4/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | THPO | P40225 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709179 | 0.79 | KDM4E (0.45) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL21709174 | 0.76 | KDM4E (0.33) | KDM4EMAPTLMNANFKB1SMN1; SMN2 | |
| SCHEMBL21709166 | 0.69 | APP (0.38) | KDM4EHSD17B10TSHRHIF1APMP22 | |
| SCHEMBL328574 | 0.65 | TDP1 (0.51) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL23578733 | 0.64 | HPGD (0.36) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL23040664 | 0.64 | KDM4E (0.53) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL23040663 | 0.64 | KDM4E (0.53) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL521779 | 0.64 | MAPT (0.58) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL521780 | 0.64 | MAPT (0.58) | TDP1KDM4EMAPTBLMHSD17B10 | |
| SCHEMBL21709057 | 0.63 | CYP3A4 (0.40) | TDP1KDM4EMAPTBLMMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |