Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.95 |
| ▸ | TSHR | P16473 | 2/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL43373 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| SCHEMBL29616636 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Ethane SCHEMBL27709559 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| SCHEMBL11280238 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Hydrochloric Acid SCHEMBL4224103 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Phenol SCHEMBL11244335 | 0.91 | ALDH1A1 (0.87) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Formaldehyde SCHEMBL9774111 | 0.91 | ALDH1A1 (0.87) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Methoxymethane SCHEMBL29278590 | 0.91 | ALDH1A1 (0.87) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| Phenol SCHEMBL9774350 | 0.86 | ALDH1A1 (0.77) | ALDH1A1TSHRCYP3A4LMNACA12 | |
| SCHEMBL8643876 | 0.84 | ALDH1A1 (0.85) | ALDH1A1TSHRCYP3A4LMNACA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103038208-B | Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors | ESTEVE QUIMICA SA | 2015-05-06 | — | — | CN | disclosed |
| CN-103038208-A | Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors | ESTEVE QUIMICA SA | 2013-04-10 | — | — | CN | disclosed |