Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3476714 | 0.74 | CES1 (0.41) | CES2CES1TSHRALDH1A1DAO | |
| Bromide SCHEMBL3248961 | 0.72 | CES1 (0.39) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL22361301 | 0.72 | ESR1 (0.48) | CES2CES1TSHRALDH1A1DAO | |
| Fluoride SCHEMBL9750381 | 0.72 | CES1 (0.39) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL18884554 | 0.71 | CES2 (0.48) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL58000 | 0.71 | ESR1 (0.52) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL5988427 | 0.71 | ESR1 (0.52) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL15527248 | 0.70 | ESR1 (0.52) | CES2CES1TSHRALDH1A1ESR1 | |
| SCHEMBL11844374 | 0.69 | ESR1 (0.56) | CES2CES1TSHRALDH1A1DAO | |
| SCHEMBL1800935 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4981827-A | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |
| EP-0323082-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-07-05 | — | — | EP | disclosed |