Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL487296 | 0.75 | AOC3 (0.50) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL6026118 | 0.74 | AOC3 (0.49) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL4958714 | 0.74 | AOC3 (0.53) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL18287882 | 0.74 | AOC3 (0.57) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL6486060 | 0.74 | CA1 (0.50) | MAPTTDP1ALDH1A1POLBKMT2A | |
| SCHEMBL10451375 | 0.74 | AOC3 (0.53) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL8910974 | 0.74 | AOC3 (0.49) | AOC3MAPTTDP1NPC1RAB9A | |
| SCHEMBL3674074 | 0.73 | CA9 (0.50) | AOC3MAPTTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30701949 | 0.73 | CA9 (0.50) | AOC3MAPTTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9181573 | 0.73 | CYP1A2 (0.40) | MAPTTDP1NPC1RAB9ASMN1; SMN2 |
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 |