Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2840115 | 0.84 | TDP1 (0.54) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL19088738 | 0.82 | TDP1 (0.52) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL19983112 | 0.79 | CASP1 (0.41) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL20068298 | 0.78 | CYP3A4 (0.48) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL20356459 | 0.77 | TDP1 (0.46) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL19633546 | 0.77 | TDP1 (0.46) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL4804383 | 0.74 | ALDH1A1 (0.41) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL1341419 | 0.74 | S100B (0.50) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL20073375 | 0.74 | TDP1 (0.43) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL1339989 | 0.74 | TDP1 (0.43) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020132597-A1 | COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF | Revolution Medicines, Inc. (US) | 2020-06-25 | — | — | WO | disclosed |
| WO-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |