Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10912843 | 0.86 | ABL1 (0.42) | ALDH1A1TSHRCES2CES1AKR1C3 | |
| SCHEMBL29461392 | 0.84 | KAT6A (0.51) | HDAC8KAT6AMRGPRX4MGLL | |
| SCHEMBL248669 | 0.84 | KAT6A (0.51) | HDAC8KAT6AMRGPRX4MGLL | |
| SCHEMBL10562151 | 0.81 | KAT6A (0.40) | ALDH1A1TSHRCES2CES1AKR1C3 | |
| SCHEMBL726592 | 0.80 | AKR1C3 (0.62) | ALDH1A1TSHRCES2CES1AKR1C3 | |
| SCHEMBL5866992 | 0.80 | MAPT (0.49) | ALDH1A1TSHRRAB9AKMT2AMEN1 | |
| SCHEMBL10933601 | 0.79 | AKR1C3 (0.60) | ALDH1A1TSHRCES2CES1AKR1C3 | |
| SCHEMBL10795242 | 0.78 | KMT2A (0.47) | RAB9AKMT2AMEN1LMNANPSR1 | |
| SCHEMBL9567403 | 0.78 | KMT2A (0.57) | ALDH1A1RAB9AKMT2AMEN1LMNA | |
| SCHEMBL10833456 | 0.77 | LMNA (0.56) | ALDH1A1TSHRHDAC8RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071790-B1 | FLUOROMETHYLTHIOBENZOYL FLUORIDES AND PROCESS FOR PREPARING THEM | BASF Aktiengesellschaft (DE) | 1985-04-24 | — | — | EP | disclosed |