Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3598047 | 0.89 | KMT2A (0.61) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL537223 | 0.84 | ERN1 (0.62) | ALDH1A1MAPTPKMLMNAKDM4E | |
| SCHEMBL11833572 | 0.83 | ALDH1A1 (0.54) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL11833581 | 0.83 | ALDH1A1 (0.54) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL3559893 | 0.82 | TSHR (0.64) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL27199967 | 0.82 | KMT2A (0.59) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL3126940 | 0.82 | KMT2A (0.62) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL3126932 | 0.82 | KMT2A (0.62) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL460048 | 0.81 | CA12 (0.64) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL10061493 | 0.81 | ERN1 (0.46) | ALDH1A1MAPTRAB9ANPC1LMNA |
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 |