Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.46 |
| ▸ | TUBB | P07437 | 4/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706397 | 0.84 | ACHE (0.50) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL11124910 | 0.82 | MAPT (0.52) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL27881317 | 0.82 | ACHE (0.48) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL28134390 | 0.79 | ACHE (0.45) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL683553 | 0.78 | ACHE (0.54) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL9828544 | 0.78 | ACHE (0.54) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL18287920 | 0.76 | MAPT (0.56) | ACHEMAPTCYP3A4CA9SMN1; SMN2 | |
| SCHEMBL9730287 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL9135690 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9MEN1 | |
| SCHEMBL27773825 | 0.76 | KDM4E (0.46) | ACHEMAPTCYP3A4MAPK1TUBB4A |
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 |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |