Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL5250264 | 0.88 | TSHR (0.48) | CYP3A4CYP2C9TAAR1TSHRKMT2A | |
| SCHEMBL3158793 | 0.85 | TSHR (0.50) | IDO1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1468357 | 0.80 | IDO1 (0.58) | IDO1LOXL2CYP3A4TAAR1TSHR | |
| SCHEMBL16561361 | 0.80 | IDO1 (0.58) | IDO1LOXL2CYP3A4TAAR1TSHR | |
| SCHEMBL7935401 | 0.79 | SRD5A2 (0.52) | IDO1LOXL2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10664800 | 0.79 | TSHR (0.59) | CYP2C9CYP2C19PTPN5TSHRLMNA | |
| SCHEMBL7938045 | 0.78 | TSHR (0.43) | CYP3A4TSHRSMN1; SMN2KCNN4NPC1 | |
| SCHEMBL7937977 | 0.77 | ESR1 (0.64) | CYP3A4TSHRLMNAKMT2A | |
| SCHEMBL6284119 | 0.77 | SMN1; SMN2 (0.49) | IDO1LOXL2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7941845 | 0.77 | IDO1 (0.55) | IDO1LOXL2CYP3A4TAAR1TSHR |
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-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |