Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 11/20 | 0.46 |
| ▸ | PPARG | P37231 | 10/20 | 0.46 |
| ▸ | PPARD | Q03181 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11123665 | 0.87 | LDHA (0.54) | PPARAPPARGKMT2ACYP1A2L3MBTL1 | |
| SCHEMBL8692120 | 0.84 | CYP2C9 (0.48) | ACACBPPARAPPARGPPARDSMN1; SMN2 | |
| SCHEMBL8861656 | 0.84 | CYP2C9 (0.48) | ACACBPPARAPPARGPPARDSMN1; SMN2 | |
| SCHEMBL6209557 | 0.84 | CYP1A2 (0.61) | CYP1A2 | |
| SCHEMBL6169492 | 0.84 | CYP1A2 (0.61) | CYP1A2 | |
| SCHEMBL11128245 | 0.80 | CYP1A2 (0.49) | PPARAPPARGEPHX2CYP1A2 | |
| SCHEMBL11254507 | 0.80 | CYP1A2 (0.49) | PPARAPPARGALDH1A1CYP1A2 | |
| SCHEMBL11249916 | 0.79 | ACACB (0.43) | ACACBRAB9AGAA | |
| SCHEMBL11242576 | 0.77 | PPARG (0.50) | PPARAPPARGPPARDRAB9AEPHX2 | |
| SCHEMBL6161253 | 0.77 | PPARA (0.47) | PPARAPPARGRAB9AMRGPRX4NPC1 |
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-4329495-A | USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES | PFIZER INC. (US) | 1982-05-11 | — | — | US | disclosed |