Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 5/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3839214 | 0.81 | AKR1C3 (0.53) | PARP1STSMAOBALDH1A1TP53 | |
| SCHEMBL18540709 | 0.81 | STS (0.53) | PARP1STSMAOBALDH1A1TP53 | |
| SCHEMBL30153175 | 0.80 | PARP1 (0.68) | PARP1MAOBALDH1A1TP53KMT2A | |
| SCHEMBL241785 | 0.80 | PARP1 (0.68) | PARP1MAOBALDH1A1TP53KMT2A | |
| SCHEMBL30136061 | 0.80 | CES2 (0.62) | PARP1STSKMT2AHPGDLMNA | |
| SCHEMBL4238012 | 0.80 | CES2 (0.62) | PARP1STSKMT2AHPGDLMNA | |
| SCHEMBL18529822 | 0.79 | SRC (0.47) | PARP1STSMAOBALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL27869733 | 0.78 | PARP1 (0.65) | PARP1MAOBALDH1A1TP53KMT2A | |
| SCHEMBL9178374 | 0.78 | AKR1C3 (0.61) | KMT2AMRGPRX4 | |
| SCHEMBL21629500 | 0.77 | CTSL (0.61) | PARP1STSMAOBALDH1A1TP53 |
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-2017030983-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS | MATEON THERAPEUTICS, INC. (US) | 2017-02-23 | — | — | WO | disclosed |