Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960192 | 0.88 | CYP3A4 (0.50) | ACACBCYP3A4FFAR1 | |
| SCHEMBL16982005 | 0.83 | CA12 (0.56) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL9426031 | 0.82 | GRIN2D (0.61) | ACACBGRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL4128407 | 0.82 | CA12 (0.51) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL6365625 | 0.81 | CA1 (0.66) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL10169575 | 0.77 | CYP4A11 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28281317 | 0.77 | LMNA (0.51) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL2851539 | 0.77 | MAPT (0.60) | CA12CA1CA2CA7LMNA | |
| SCHEMBL570747 | 0.77 | ESR1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11547632 | 0.77 | RAB9A (0.39) | CA12CA1CA2ESR1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5349105-A | Skin disorder | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5202471-A | Skin disorders | ALLERGAN, INC. (US) | 1993-04-13 | — | — | US | disclosed |