Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1561382 | 0.90 | ATM (0.49) | KMT2AL3MBTL1MEN1TDP1ATM | |
| SCHEMBL9354894 | 0.87 | CTSD (0.40) | KMT2AMEN1TDP1CTSDCTSL | |
| SCHEMBL9355336 | 0.85 | CTSD (0.56) | L3MBTL1CTSDCTSLCTSBCTSS | |
| SCHEMBL9354413 | 0.85 | CTSD (0.39) | CTSDCTSLCTSBCTSSSMN1; SMN2 | |
| SCHEMBL13747154 | 0.83 | CTSD (0.49) | KMT2AL3MBTL1MEN1TDP1ATM | |
| SCHEMBL30859901 | 0.82 | TP53 (0.49) | KMT2AMEN1CTSDCTSLCTSB | |
| SCHEMBL9354710 | 0.79 | DPP4 (0.35) | CTSDCTSLCTSBCTSS | |
| SCHEMBL21871203 | 0.78 | SIGMAR1 (0.45) | ALDH1A1MAPT | |
| SCHEMBL19925014 | 0.78 | HPGD (0.41) | KMT2AMEN1CTSDCTSLCTSB | |
| SCHEMBL9354698 | 0.77 | CTSD (0.54) | L3MBTL1CTSDCTSLCTSBCTSS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019022223-A1 | CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | 東レ株式会社 | 2019-01-31 | — | — | WO | disclosed |
| WO-2019022234-A1 | INFLAMMATORY BOWEL DISEASE THERAPEUTIC AGENT OR PROPHYLACTIC AGENT | 東レ株式会社 | 2019-01-31 | — | — | WO | disclosed |
| WO-2019022235-A1 | THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR ALOPECIA AREATA | 東レ株式会社 | 2019-01-31 | — | — | WO | disclosed |
| WO-2017131156-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 東レ株式会社 | 2017-08-03 | — | — | WO | disclosed |