Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22561334 | 0.89 | ADAMTS4 (0.41) | SMN1; SMN2TP53KMT2AMEN1ATM | |
| SCHEMBL20733348 | 0.89 | ADAMTS4 (0.41) | SMN1; SMN2TP53KMT2AMEN1ATM | |
| SCHEMBL24101234 | 0.88 | SMN1; SMN2 (0.40) | SMN1; SMN2TP53KMT2AMEN1CRHBP | |
| SCHEMBL22064637 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2TP53KMT2AMEN1ATM | |
| SCHEMBL12285446 | 0.88 | PLG (0.44) | SMN1; SMN2KMT2AMEN1HTTGAA | |
| SCHEMBL25993246 | 0.88 | SMN1; SMN2 (0.40) | SMN1; SMN2TP53KMT2AMEN1CRHBP | |
| SCHEMBL13775166 | 0.87 | CRHBP (0.50) | SMN1; SMN2TP53KMT2AMEN1ATM | |
| SCHEMBL18494908 | 0.85 | SMN1; SMN2 (0.46) | SMN1; SMN2KMT2AMEN1CRHBPCRHR2 | |
| SCHEMBL21657990 | 0.84 | KMT2A (0.45) | SMN1; SMN2TP53KMT2AMEN1ATM | |
| SCHEMBL21350543 | 0.84 | CRHBP (0.55) | SMN1; SMN2TP53KMT2AMEN1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |
| EP-2662095-A1 | Pyrrolobenzodiazepines and conjugates thereof | Spirogen Sàrl (CH) | 2013-11-13 | — | — | EP | disclosed |
| EP-2528625-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN SARL (CH) | 2013-07-10 | — | — | EP | disclosed |
| WO-2011128650-A1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | SPIROGEN LIMITED (GB) | 2011-10-20 | — | — | WO | disclosed |