Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28824480 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938081 | 0.83 | MTNR1A (0.40) | ALDH1A1CYP3A4TSHRMTNR1AMTNR1B | |
| SCHEMBL15938784 | 0.82 | SMN1; SMN2 (0.48) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL17102727 | 0.81 | ACHE (0.36) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938676 | 0.80 | MTNR1A (0.42) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL28043962 | 0.78 | AR (0.40) | MAPK3ACHE | |
| SCHEMBL17102736 | 0.78 | ACHE (0.37) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL28824481 | 0.75 | MAPK3 (0.49) | MTNR1AMTNR1BMAPK3 | |
| SCHEMBL28824484 | 0.75 | MET (0.35) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938665 | 0.74 | ALDH1A1 (0.33) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105188371-A | Erk inhibitors and uses thereof | CELGENE AVILOMICS RES INC | 2015-12-23 | — | — | CN | disclosed |