Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15669918 | 0.84 | CYP3A4 (0.36) | TSHRHIF1ATDP1LMNACYP3A4 | |
| SCHEMBL2586742 | 0.84 | TYR (0.46) | HIF1AADRA2ALMNACYP3A4CYP2C9 | |
| SCHEMBL10907895 | 0.84 | TYR (0.46) | HIF1AADRA2ALMNACYP3A4CYP2C9 | |
| SCHEMBL12204113 | 0.80 | TSHR (0.58) | ADRB2TSHRHIF1ASLC6A4SLC6A2 | |
| SCHEMBL732167 | 0.79 | CYP3A4 (0.47) | TSHRHIF1ASLC6A2TDP1LMNA | |
| SCHEMBL29765571 | 0.79 | CYP3A4 (0.47) | TSHRHIF1ASLC6A2TDP1LMNA | |
| SCHEMBL10492741 | 0.78 | ADRB2 (0.44) | ADRB2TSHRHIF1ASLC6A2SLC6A3 | |
| SCHEMBL10411678 | 0.77 | GABRA1 (0.52) | ADRB2TSHRHIF1ASLC6A4SLC6A2 | |
| SCHEMBL6841273 | 0.77 | TAAR1 (0.46) | ADRB2TSHRHIF1ASLC6A4SLC6A2 | |
| SCHEMBL5512928 | 0.77 | PDE2A (0.40) | TSHRSLC6A4SLC6A2SLC6A3KDM4E |
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-6222073-B1 | REACTING AROMATIC OLEFIN WITH ANILINE COMPOUND IN INERT SOLVENT IN PRESENCE OF BASIC CATALYST SELECTED FROM ALKALI METAL OR ALKALINE EARTH METAL ALCOHOLATES, ALKALI METAL OR ALKALINE EARTH METAL AMIDES TO FORM N-ALKYLATED ANILINES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2001-04-24 | — | — | US | disclosed |
| US-4624904-A | Photoconductive imaging members with unsymmetrical squaraine compounds containing an hydroxyl group | XEROX CORPORATION (US) | 1986-11-25 | — | — | US | disclosed |