Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | EED | O75530 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084365 | 0.89 | HRH3 (0.51) | ALDH1A1LMNAKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL807398 | 0.88 | CYP2A13 (0.48) | CYP2A13ALDH1A1LMNAKDM4ETSHR | |
| SCHEMBL18360638 | 0.85 | KDM4E (0.57) | CYP2A13ALDH1A1LMNAKDM4ETSHR | |
| SCHEMBL15084355 | 0.84 | EED (0.56) | HRH4HRH3EED | |
| SCHEMBL15084323 | 0.79 | EED (0.43) | ALDH1A1LMNAKDM4ETSHRPOLB | |
| SCHEMBL15084321 | 0.79 | MAPK1 (0.51) | SMN1; SMN2HRH4HRH3EED | |
| SCHEMBL6358909 | 0.78 | CYP2A13 (0.55) | CYP2A13ALDH1A1LMNAKDM4ETSHR | |
| SCHEMBL15084392 | 0.77 | S1PR1 (0.46) | ALDH1A1KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL807178 | 0.77 | EED (0.43) | CYP2A13ALDH1A1LMNAKDM4ETSHR | |
| SCHEMBL15084390 | 0.77 | EED (0.43) | ALDH1A1LMNAKDM4ETSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | disclosed |