Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27958929 | 0.98 | KCNN4 (0.43) | KCNN4ALDH1A1CES2CES1ESR1 | |
| SCHEMBL6037507 | 0.90 | ACHE (0.50) | KCNN4ALDH1A1TSHRMAPK14 | |
| SCHEMBL11729778 | 0.88 | BCL2L1 (0.57) | CES2CES1ESR1ESR2TSHR | |
| SCHEMBL2237446 | 0.81 | CA2 (0.57) | CA1CA2 | |
| SCHEMBL753482 | 0.81 | S100A4 (0.33) | KCNN4ALDH1A1ESR1ESR2TSHR | |
| SCHEMBL11845019 | 0.79 | KCNN4 (0.43) | KCNN4ALDH1A1CES2CES1CA1 | |
| SCHEMBL65464 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRPLAU | |
| SCHEMBL11417635 | 0.78 | ESR1 (0.43) | ALDH1A1ESR1ESR2CA1CA2 | |
| SCHEMBL4589533 | 0.77 | ALDH1A1 (0.47) | KCNN4ALDH1A1CES2CES1 | |
| SCHEMBL320721 | 0.77 | KCNN4 (0.42) | KCNN4ALDH1A1CES2CES1CA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006130426-A2 | MODULATORS OF CCR-5 ACTIVITY | KEMIA, INC. (US) | 2006-12-07 | — | — | WO | claimed |
| US-4698444-A | 1,1-bis(p-fluorophenyl)urea | PFIZER INC. (US) | 1987-10-06 | — | — | US | claimed |
| US-4477669-A | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1984-10-16 | — | — | US | claimed |
| EP-0082658-A2 | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1983-06-29 | — | — | EP | claimed |
| WO-2006130426-A2 | MODULATORS OF CCR-5 ACTIVITY | KEMIA, INC. (US) | 2006-12-07 | — | — | WO | disclosed |
| US-4698444-A | 1,1-bis(p-fluorophenyl)urea | PFIZER INC. (US) | 1987-10-06 | — | — | US | disclosed |
| US-4698444-A | 1,1-bis(p-fluorophenyl)urea | PFIZER INC. (US) | 1987-10-06 | — | — | US | disclosed |
| US-4698444-A | 1,1-bis(p-fluorophenyl)urea | PFIZER INC. (US) | 1987-10-06 | — | — | US | disclosed |
| US-4568748-A | 2-Carbobenzoxy-8-fluoro-5-(p-fluorophenyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | PFIZER INC. (US) | 1986-02-04 | — | — | US | disclosed |
| US-4568748-A | 2-Carbobenzoxy-8-fluoro-5-(p-fluorophenyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | PFIZER INC. (US) | 1986-02-04 | — | — | US | disclosed |
| US-4477669-A | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1984-10-16 | — | — | US | disclosed |
| US-4477669-A | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1984-10-16 | — | — | US | disclosed |
| US-4467090-A | Compound, 8-fluoro-5-(p-fluorophenyl)-2-[4-(p-fluorophenyl)-4-hydroxybutyryl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | PFIZER INC. (US) | 1984-08-21 | — | — | US | disclosed |
| EP-0082658-A3 | PROCESSES AND INTERMEDIATES USEFUL IN THE PREPARATION OF FLUTROLINE | PFIZER INC. (US) | 1984-06-06 | — | — | EP | disclosed |
| EP-0082658-A2 | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1983-06-29 | — | — | EP | disclosed |
| EP-0082658-A2 | Processes and intermediates useful in the preparation of flutroline | PFIZER INC. (US) | 1983-06-29 | — | — | EP | disclosed |