Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | RPA1 | P27694 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8462975 | 0.81 | CA12 (0.48) | CYP1A2L3MBTL1MCL1KDM4EALDH1A1 | |
| SCHEMBL1048314 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2A6TDP1L3MBTL1MCL1 | |
| SCHEMBL8464938 | 0.80 | PRNP (0.49) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8461034 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2A6KDM4EALDH1A1HPGD | |
| SCHEMBL8460194 | 0.80 | CES2 (0.38) | CYP1A2TDP1KDM4EALDH1A1HPGD | |
| SCHEMBL8459821 | 0.80 | CA12 (0.54) | L3MBTL1MCL1KDM4EALDH1A1HPGD | |
| SCHEMBL8461325 | 0.79 | FOLH1 (0.42) | CYP1A2MCL1KDM4EALDH1A1HPGD | |
| SCHEMBL15390823 | 0.77 | CA12 (0.52) | CYP1A2CYP2A6TDP1L3MBTL1MCL1 | |
| SCHEMBL8459924 | 0.76 | ALDH1A1 (0.37) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL8461200 | 0.76 | TTR (0.46) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0745326-B1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5594017-A | WITH AN IODOSYL OR IODYL COMPOUND | ROHM AND HAAS COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0745326-A1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM AND HAAS COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |