Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CTSC | P53634 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | MC4R | P32245 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18546468 | 1.00 | KMT2A (0.54) | KMT2AMEN1CTSCALDH1A1DPP4 | |
| SCHEMBL18554400 | 0.96 | KMT2A (0.58) | KMT2AMEN1CTSCALDH1A1DPP4 | |
| SCHEMBL18554382 | 0.96 | KMT2A (0.58) | KMT2AMEN1CTSCALDH1A1DPP4 | |
| Hydrochloric Acid SCHEMBL18546419 | 0.95 | KMT2A (0.60) | KMT2AMEN1CTSCALDH1A1DPP4 | |
| Hydrochloric Acid SCHEMBL18554483 | 0.95 | KMT2A (0.60) | KMT2AMEN1CTSCALDH1A1DPP4 | |
| SCHEMBL18554335 | 0.92 | CTSC (0.58) | KMT2AMEN1CTSCDPP4MC4R | |
| Hydrochloric Acid SCHEMBL18546544 | 0.91 | CTSC (0.57) | KMT2AMEN1CTSCDPP4MC4R | |
| SCHEMBL18556183 | 0.83 | CTSC (0.59) | CTSCALDH1A1DPP4MC4RTSHR | |
| SCHEMBL7067405 | 0.83 | CTSC (0.59) | CTSCALDH1A1DPP4MC4RTSHR | |
| Hydrochloric Acid SCHEMBL18546507 | 0.82 | CTSC (0.58) | CTSCALDH1A1DPP4MC4RTSHR |
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-2017035355-A1 | ETHER COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-02 | — | — | WO | disclosed |