Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4980374 | 0.88 | SLC6A3 (0.48) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL637183 | 0.81 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL158475 | 0.76 | SRC (0.42) | TSHRLMNA | |
| SCHEMBL8910189 | 0.74 | SLC6A3 (0.58) | SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E | |
| SCHEMBL9186509 | 0.74 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL3751751 | 0.73 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL10154156 | 0.73 | SLC6A2 (0.91) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL3290275 | 0.73 | SLC6A3 (1.00) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL30166037 | 0.73 | SLC6A2 (0.91) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL11516132 | 0.72 | SLC6A3 (0.45) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 |
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 8 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 |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| US-5405843-A | Anticancer drug potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0363212-B1 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS (JP) | 1995-01-04 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |
| US-5204348-A | Quinoline derivatives | MITSUI TOATSU CHEMICALS INC. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5112817-A | Anticancer Drug Potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-05-12 | — | — | US | disclosed |
| EP-0363212-A2 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-04-11 | — | — | EP | disclosed |