Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NSD2 | O96028 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22144041 | 0.76 | ALDH1A1 (0.41) | CYP3A4ALDH1A1TSHRNSD2KDM4C | |
| SCHEMBL19465343 | 0.76 | KDM5A (0.46) | ALDH1A1MAPK1KDM4CKDM4ENPC1 | |
| SCHEMBL12492613 | 0.76 | ALDH1A1 (0.48) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL12492607 | 0.76 | KDM4E (0.44) | ALDH1A1TSHRMAPK1NSD2KDM4C | |
| Hydrochloric Acid SCHEMBL22125991 | 0.75 | ALDH1A1 (0.40) | CYP3A4ALDH1A1TSHRNSD2KDM4C | |
| SCHEMBL15929448 | 0.72 | KDM2B (0.46) | ALDH1A1NSD2KDM4CKDM2BLMNA | |
| SCHEMBL6278071 | 0.70 | SMN1; SMN2 (0.56) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL12492587 | 0.70 | IDO1 (0.58) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL24185299 | 0.69 | IDO1 (0.42) | ALDH1A1TSHRMAPK1NSD2KDM4C | |
| SCHEMBL20666759 | 0.69 | ADORA2A (0.60) | CYP3A4NSD2KDM4CKDM2BTGFBR1 |
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-2686318-A1 | PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS | Cancer Research Technology Ltd (GB) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123745-A1 | PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2012-09-20 | — | — | WO | disclosed |