Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PAM | P19021 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARD | Q03181 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8017946 | 0.89 | AKR1B1 (0.48) | TSHRALDH1A1TDP1AKR1B1PAM | |
| SCHEMBL28558128 | 0.86 | GPR84 (0.50) | TSHRALDH1A1TDP1AKR1B1PAM | |
| SCHEMBL27447026 | 0.83 | TSHR (0.46) | TSHRALDH1A1TDP1FAAHAKR1B1 | |
| SCHEMBL27592545 | 0.83 | NAAA (0.53) | TSHRALDH1A1FAAH | |
| SCHEMBL27576717 | 0.83 | NAAA (0.53) | TSHRALDH1A1FAAH | |
| Ethyl Acetate SCHEMBL27912255 | 0.83 | ALDH1A1 (0.61) | TSHRALDH1A1TDP1FAAHMEN1 | |
| SCHEMBL28234624 | 0.83 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1FAAHMEN1 | |
| Bicarbonate SCHEMBL38662423 | 0.81 | TSHR (0.67) | TSHRALDH1A1TDP1FAAHAKR1B1 | |
| Ethyl Acetate SCHEMBL6272471 | 0.81 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1FAAHMEN1 | |
| Ethyl Acetate SCHEMBL10707135 | 0.81 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1FAAHMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |
| CN-102665718-A | Heterocyclic compounds useful as pdk1 inhibitors | BIOGEN IDEC INC | 2012-09-12 | — | — | CN | disclosed |