Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30413683 | 0.87 | — | — | |
| SCHEMBL59217 | 0.87 | — | — | |
| SCHEMBL12127 | 0.87 | — | — | |
| SCHEMBL28749668 | 0.79 | TDP1 (0.50) | ALDH1A1ALOX15HSD17B10TDP1TP53 | |
| SCHEMBL27816817 | 0.76 | TRPA1 (0.46) | ALDH1A1ALOX15HSD17B10TDP1TP53 | |
| SCHEMBL27870665 | 0.76 | TRPA1 (0.46) | ALDH1A1ALOX15HSD17B10TDP1TP53 | |
| Metacresol SCHEMBL10549611 | 0.74 | ACHE (0.65) | ALDH1A1ALOX15HSD17B10TDP1TP53 | |
| SCHEMBL33821 | 0.73 | — | — | |
| SCHEMBL4866842 | 0.73 | ALOX15 (0.65) | ALDH1A1ALOX15HSD17B10TDP1TP53 | |
| SCHEMBL29356215 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538384-A4 | OXAMIDES | SMITHKLINE BEECHAM CORP (US) | 1995-04-12 | — | — | EP | disclosed |
| US-5393788-A | Phenylalkyl oxamides | SMITHKLINE BEECHAM CORPORATION (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0538384-A1 | OXAMIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1992000968-A1 | OXAMIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1992-01-23 | — | — | WO | disclosed |