Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.52 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11061508 | 0.96 | NR5A1 (0.56) | LTA4HNR5A1CYP3A4CYP2D6RAB9A | |
| SCHEMBL2238977 | 0.83 | LTA4H (0.55) | LTA4HNR5A1CYP3A4CYP2D6RAB9A | |
| SCHEMBL26850 | 0.82 | LTA4H (0.70) | LTA4HNR5A1CYP3A4CYP2D6RAB9A | |
| SCHEMBL10356359 | 0.81 | LTA4H (0.53) | LTA4HNR5A1CYP3A4CYP2D6RAB9A | |
| SCHEMBL11070023 | 0.79 | TDP1 (0.59) | RAB9ASMN1; SMN2NPC1HSD17B10TSHR | |
| SCHEMBL6288750 | 0.78 | NR5A1 (0.63) | LTA4HNR5A1RAB9ANPC1HSD17B10 | |
| SCHEMBL29062602 | 0.78 | NR5A1 (0.63) | LTA4HNR5A1RAB9ANPC1HSD17B10 | |
| SCHEMBL29062635 | 0.78 | NR5A1 (0.63) | LTA4HNR5A1RAB9ANPC1HSD17B10 | |
| 1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 | 0.77 | LTA4H (0.64) | LTA4HNR5A1CYP3A4CYP2D6RAB9A | |
| 1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 | 0.77 | NR5A1 (0.75) | LTA4HNR5A1CYP3A4CYP2D6RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428889-A | PREPARING THIOPEPTIDES FROM PEPTIDES | BRISTOL-MYERS COMPANY (US) | 1984-01-31 | — | — | US | disclosed |