Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19614877 | 0.74 | NAMPT (0.40) | NOTUMNPC1RAB9AMEN1KMT2A | |
| SCHEMBL4898390 | 0.74 | TRPV1 (0.52) | NOTUMNPC1RAB9AHTR1AHTR1B | |
| SCHEMBL19614856 | 0.73 | ERBB2 (0.41) | FGFR1FGFR4CHEK1AURKADAPK3 | |
| Hydrochloric Acid SCHEMBL30464341 | 0.70 | ERBB2 (0.39) | NOTUMCHEK1AURKADAPK3CSNK1A1 | |
| Hydrochloric Acid SCHEMBL19614885 | 0.70 | ERBB2 (0.39) | NOTUMCHEK1AURKADAPK3CSNK1A1 | |
| SCHEMBL16686040 | 0.66 | NPC1 (0.63) | NOTUMNPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL3985815 | 0.65 | NOTUM (0.51) | NOTUMKMO | |
| SCHEMBL16109510 | 0.64 | CHEK1 (0.55) | FGFR1FGFR4CHEK1AURKADAPK3 | |
| SCHEMBL30006626 | 0.63 | MAPT (0.53) | NOTUMNPC1RAB9AMEN1KMT2A | |
| SCHEMBL20086571 | 0.63 | KDM1A (0.51) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458069-A2 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | Mersana Therapeutics, Inc. (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017201132-A2 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS, INC. (US) | 2017-11-23 | — | — | WO | disclosed |