Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10906009 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TSHRHTT | |
| SCHEMBL2302989 | 0.81 | CYP2C19 (0.36) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL15105913 | 0.79 | TSHR (0.35) | ALDH1A1TSHRHTT | |
| SCHEMBL6450503 | 0.75 | MAPT (0.38) | ALDH1A1TSHRPKMHTTMAPT | |
| SCHEMBL8349586 | 0.75 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL7837509 | 0.74 | EGLN1 (0.36) | ALDH1A1TSHRMAPTLMNACYP2D6 | |
| SCHEMBL10532479 | 0.74 | TSHR (0.32) | ALDH1A1TSHRMAPT | |
| SCHEMBL28838440 | 0.74 | CYP2D6 (0.36) | TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL11115586 | 0.72 | PPARG (0.50) | ALDH1A1TSHRHTTMAPTCYP2D6 | |
| SCHEMBL528085 | 0.72 | TSHR (0.42) | ALDH1A1TSHRHTTMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010042391-A2 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-15 | — | — | WO | disclosed |