Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | FASN | P49327 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3506617 | 0.79 | CA12 (0.57) | CA12CA2CA9CA1CA6 | |
| SCHEMBL6263144 | 0.79 | ACHE (0.59) | CA12CA2CA9CA1CA6 | |
| SCHEMBL7938412 | 0.78 | CES2 (0.61) | PARP1MEN1KMT2AHTTESR1 | |
| SCHEMBL11681578 | 0.78 | ACHE (0.49) | ALDH1A1LMNAP2RX1TP53TSHR | |
| SCHEMBL7312813 | 0.77 | CA12 (0.59) | CA12CA2CA9CA1CA6 | |
| SCHEMBL29800704 | 0.76 | CA12 (0.64) | CA12CA2CA9CA1CA6 | |
| SCHEMBL1456040 | 0.76 | CA12 (0.64) | CA12CA2CA9CA1CA6 | |
| Resorcinol SCHEMBL10804414 | 0.76 | ALDH1A1 (0.57) | CA12CA2CA9CA1CA6 | |
| SCHEMBL132067 | 0.75 | CES1 (0.58) | CA12CA2CA9CA1CA6 | |
| SCHEMBL809540 | 0.75 | FASN (0.76) | CA12CA2CA9CA1CA6 |
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 3 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 |
| CN-1263882-A | Method for preparing fluorine-substituted aromatic compound | MITSUI CHEMICALS INC (JP) | 2000-08-23 | — | — | CN | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |