Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.37 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.37 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28949858 | 0.85 | TSHR (0.69) | TSHRCYP1A2ADRB2LMNACYP2A6 | |
| Chlorobenzene SCHEMBL10430192 | 0.85 | TSHR (0.69) | TSHRCYP1A2ADRB2LMNACYP2A6 | |
| Chlorobenzene SCHEMBL29291039 | 0.84 | — | — | |
| Chlorobenzene SCHEMBL8816426 | 0.82 | TSHR (0.65) | TSHRCYP1A2ADRB2LMNACYP2A6 | |
| Chlorobenzene SCHEMBL10495324 | 0.82 | TSHR (0.65) | TSHRCYP1A2ADRB2LMNACYP2A6 | |
| Chlorobenzene SCHEMBL10408107 | 0.81 | — | — | |
| Chlorobenzene SCHEMBL3930673 | 0.81 | — | — | |
| SCHEMBL24715429 | 0.80 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6IDO1 | |
| Chlorobenzene SCHEMBL1568605 | 0.80 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6IDO1 | |
| Chlorobenzene SCHEMBL2168046 | 0.80 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6IDO1 |
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-4173706-A | REACTING WITH MOLYBDENUM HEXAFLUORIDE | INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) | 1979-11-06 | — | — | US | disclosed |