Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15942251 | 0.86 | NTRK1 (0.43) | ALDH1A1CYP3A4TDP1TSHRNPC1 | |
| SCHEMBL17853473 | 0.84 | NPC1 (0.45) | NPC1MAPTSMN1; SMN2RAB9ATP53 | |
| SCHEMBL18042052 | 0.79 | DAPK3 (0.46) | NPC1RAB9ANTRK1AURKADAPK3 | |
| SCHEMBL16416060 | 0.77 | MAPT (0.49) | ALDH1A1NPC1MAPTSMN1; SMN2RAB9A | |
| SCHEMBL4089983 | 0.76 | NTRK1 (0.43) | ALDH1A1CYP3A4TSHRNPC1SMN1; SMN2 | |
| SCHEMBL21857153 | 0.74 | KMT2A (0.59) | ALDH1A1CYP3A4TDP1MAPTKDM4E | |
| SCHEMBL29352032 | 0.74 | KDM4E (0.36) | ALDH1A1CYP3A4TDP1TSHRNPC1 | |
| SCHEMBL22530109 | 0.74 | KDM4E (0.36) | ALDH1A1CYP3A4TDP1TSHRNPC1 | |
| SCHEMBL1283665 | 0.74 | KEAP1 (0.44) | ALDH1A1CYP3A4TDP1TSHRAPP | |
| SCHEMBL12647726 | 0.74 | CYP11B1 (0.39) | ALDH1A1NPC1MAPTSMN1; SMN2RAB9A |
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 |