Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | CES1 | P23141 | 6/20 | 0.48 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL437266 | 0.80 | TSHR (0.85) | TSHRCES1CES2HPGDALDH1A1 | |
| SCHEMBL27635596 | 0.79 | CES1 (0.56) | TSHRCES1CES2CA1FAAH | |
| SCHEMBL3834150 | 0.79 | TSHR (0.56) | TSHRCES1CES2HPGDCA1 | |
| SCHEMBL11123251 | 0.79 | TSHR (0.66) | TSHRCES1CES2HPGDFAAH | |
| Hydrochloric Acid SCHEMBL28208921 | 0.78 | TSHR (0.82) | TSHRHPGDALDH1A1ATMCYP3A4 | |
| SCHEMBL24242161 | 0.78 | TSHR (0.53) | TSHRCES1CES2HPGDFAAH | |
| Hexane SCHEMBL11329030 | 0.76 | TSHR (0.85) | TSHRHPGDFAAHALDH1A1 | |
| SCHEMBL3160245 | 0.74 | — | — | |
| Allyl Hexanoate SCHEMBL21086 | 0.74 | TSHR (0.96) | TSHRFAAHALDH1A1ATMCYP3A4 | |
| Allyl Hexanoate SCHEMBL1869217 | 0.74 | TSHR (0.96) | TSHRFAAHALDH1A1ATMCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |