Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9275404 | 0.85 | KMT2A (0.46) | KMT2AMEN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL9275211 | 0.84 | KMT2A (0.45) | KMT2AMEN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL8120771 | 0.81 | NPY1R (0.44) | — | |
| SCHEMBL9275206 | 0.79 | KMT2A (0.43) | KMT2AMEN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL8529501 | 0.78 | NPY1R (0.38) | — | |
| SCHEMBL8120019 | 0.78 | ITGB3 (0.41) | KMT2AMEN1TDP1SMN1; SMN2BLM | |
| SCHEMBL8127573 | 0.76 | MTNR1A (0.42) | KMT2A | |
| SCHEMBL8128352 | 0.75 | PADI4 (0.39) | — | |
| SCHEMBL8112524 | 0.75 | KMT2A (0.47) | KMT2AMEN1NPC1RAB9ATSHR | |
| SCHEMBL8126974 | 0.75 | ASAH1 (0.41) | KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |