Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 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 | |
|---|---|---|---|---|
| SCHEMBL8924966 | 0.83 | TSHR (0.46) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL3940726 | 0.82 | TSHR (0.56) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL3940728 | 0.82 | TSHR (0.56) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL489589 | 0.77 | — | — | |
| SCHEMBL7875628 | 0.77 | TSHR (0.50) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL59763 | 0.77 | TSHR (0.50) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL11130944 | 0.74 | CES1 (0.41) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL18294893 | 0.74 | ESR1 (0.50) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL23706124 | 0.72 | TDP1 (0.42) | TSHRDAONAPRTALDH1A1HIF1A | |
| SCHEMBL2103298 | 0.72 | TSHR (0.46) | TSHRDAONAPRTALDH1A1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-6350925-B1 | HALOETHYLATION OF AROMATIC COMPOUNDS | 3M INNOVATIVE PROPERTIES COMPANY | 2002-02-26 | — | — | US | disclosed |