Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 11/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2994172 | 0.79 | ERN1 (0.46) | ERN1ALDH1A1TDP1SOS1 | |
| SCHEMBL10697796 | 0.79 | TDP1 (0.60) | DPP4ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL10478265 | 0.79 | HSD17B10 (0.46) | ERN1ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL28810266 | 0.77 | LOXL2 (0.46) | ERN1ALDH1A1TDP1 | |
| SCHEMBL31435450 | 0.76 | ERN1 (0.51) | ERN1ALDH1A1TDP1 | |
| SCHEMBL16205217 | 0.76 | ERN1 (0.51) | ERN1ALDH1A1TDP1 | |
| SCHEMBL2979508 | 0.76 | ALDH1A1 (0.43) | ALDH1A1LMNAHTT | |
| SCHEMBL9194437 | 0.73 | DPP4 (0.58) | DPP4ALDH1A1LMNATDP1 | |
| SCHEMBL9730400 | 0.73 | ALDH1A1 (0.50) | ERN1ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL9798217 | 0.73 | ERN1 (0.43) | ERN1ALDH1A1LMNAHTTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103641834-B | Pyrrolobenzodiazepines * compounds and its preparation method and application | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2015-12-09 | — | — | CN | disclosed |
| CN-103641834-A | Pyrrolobenzodiazepine compounds, and preparation method and application thereof | UNIV SHENYANG PHARMACEUTICAL | 2014-03-19 | — | — | CN | disclosed |