Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL8462883 | 0.85 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL8459525 | 0.85 | DPP4 (0.36) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL8461216 | 0.81 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL31194455 | 0.78 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL5465587 | 0.78 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| Hydrochloric Acid SCHEMBL5958361 | 0.76 | CYP3A4 (0.44) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL543424 | 0.74 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL28137972 | 0.73 | CYP3A4 (0.41) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL8464506 | 0.73 | AKR1C4 (0.57) | CYP3A4ALDH1A1TSHRTP53CASP1 | |
| SCHEMBL8462833 | 0.73 | DPP4 (0.38) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 |
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 |