Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11254455 | 0.91 | CYP1A2 (0.41) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL11243658 | 0.84 | CYP1A2 (0.41) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL26128781 | 0.79 | DGKA (0.44) | DGKAFAAHTSHRALDH1A1ATM | |
| SCHEMBL5137670 | 0.78 | TSHR (0.36) | FAAHTSHRALDH1A1 | |
| SCHEMBL9171978 | 0.78 | TSHR (0.39) | FAAHTSHRALDH1A1CTSK | |
| SCHEMBL11125969 | 0.77 | TSHR (0.43) | TSHRKMT2APOLBALDH1A1 | |
| SCHEMBL28746627 | 0.77 | CYP1A2 (0.46) | CYP1A2PAMNR1I2PGRADORA3 | |
| SCHEMBL11266534 | 0.77 | CYP1A2 (0.44) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL20076183 | 0.75 | MAPT (0.47) | CYP1A2PAMDGKAGAAFAAH | |
| SCHEMBL15025242 | 0.75 | CYP1A2 (0.43) | CYP1A2PAMNR1I2PGRADORA3 |
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-4324727-A | Preparation of butyrolactones | BASF AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | disclosed |