Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27721275 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL30663244 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAMAPTPOLB | |
| SCHEMBL6965338 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAMAPTPOLB | |
| SCHEMBL31378863 | 0.74 | PNMT (0.58) | ALDH1A1MAPTKMT2AMEN1RAB9A | |
| SCHEMBL427407 | 0.74 | PNMT (0.58) | ALDH1A1MAPTKMT2AMEN1RAB9A | |
| Quinoline SCHEMBL28039586 | 0.74 | ALDH1A1 (0.36) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL30208641 | 0.73 | MGAM (0.61) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL725183 | 0.73 | MGAM (0.61) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL16793838 | 0.71 | MGAM (0.59) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL30615167 | 0.71 | MGAM (0.59) | ALDH1A1KDM4EGAAMAPTKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108727407-A | Novel benzodiazepine * derivatives | 伊缪诺金公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-105198908-A | Novel benzodiazepine derivatives | IMMUNOGEN INC | 2015-12-30 | — | — | CN | disclosed |
| CN-105175434-A | NOVEL BENZODIAZEPINE DERIVATIVES | IMMUNOGEN INC | 2015-12-23 | — | — | CN | disclosed |
| CN-102365021-B | Novel benzodiazepine derivatives | IMMUNOGEN INC | 2015-07-15 | — | — | CN | disclosed |
| CN-102365021-A | Novel benzodiazepine derivatives | IMMUNOGEN INC | 2012-02-29 | — | — | CN | disclosed |