Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8674200 | 0.82 | CYP1A2 (0.70) | CYP1A2TSHRNISCHADRA2AADRA2B | |
| SCHEMBL29766842 | 0.79 | CYP1A2 (1.00) | CYP1A2TSHRTAAR1NISCHADRA2A | |
| SCHEMBL8673343 | 0.79 | CYP1A2 (1.00) | CYP1A2TSHRTAAR1NISCHADRA2A | |
| Hydrochloric Acid SCHEMBL8671262 | 0.78 | CYP1A2 (0.97) | CYP1A2TSHRTAAR1NISCHADRA2A | |
| Hydrochloric Acid SCHEMBL8675065 | 0.76 | CYP1A2 (0.65) | CYP1A2TSHRTAAR1NISCHADRA2A | |
| SCHEMBL8677159 | 0.76 | CYP1A2 (0.65) | CYP1A2TSHRNISCHADRA2AADRA2B | |
| SCHEMBL8671090 | 0.73 | ADRA2A (0.37) | CYP1A2TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL8672231 | 0.73 | KMT2A (0.36) | CYP1A2TSHRALDH1A1LMNATIPARP | |
| SCHEMBL23112179 | 0.70 | ALDH1A1 (0.38) | CYP1A2TSHRALDH1A1EPHX2TIPARP | |
| SCHEMBL20178642 | 0.66 | NOTUM (0.43) | CYP1A2TSHRALDH1A1TIPARP |
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-5726197-A | ADRENORECEPTORS AND ADMINISTERING | SYNTEX (U.S.A.) INC. (US) | 1998-03-10 | — | — | US | disclosed |