Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9863021 | 1.00 | CYP19A1 (0.48) | CYP19A1CYP2C9CYP2C19CYP1A2AOC3 | |
| SCHEMBL9862922 | 0.86 | CYP19A1 (0.48) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9862870 | 0.86 | CYP19A1 (0.48) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9862976 | 0.84 | CYP1A2 (0.46) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9208154 | 0.84 | RAB9A (0.49) | CYP19A1CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL9204123 | 0.83 | CYP19A1 (0.48) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9862972 | 0.82 | CYP19A1 (0.47) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9205839 | 0.82 | CYP2C9 (0.47) | CYP19A1CYP2C9CYP2C19CYP1A2AOC3 | |
| SCHEMBL9862929 | 0.81 | CYP19A1 (0.45) | CYP19A1CYP2C9CYP2C19CYP1A2NR1I2 | |
| SCHEMBL9436495 | 0.80 | CHRNB4 (0.53) | AOC3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55056184-A | — | — | None | — | — | JP | disclosed |
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4990657-A | From an aromatic halide without a phase transfer agent | RHONE-POULENC CHIMIE (FR) | 1991-02-05 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | US | disclosed |
| US-4536344-A | USING A PHOSPINE OR PHOSPHITE | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-20 | — | — | US | disclosed |
| JP-S5556184-A | AGENT FOR PREVENTING DISCOLORATION OF ORGANIC ISOCYANATE | ASAHI CHEM IND CO LTD | 1980-04-24 | — | — | JP | disclosed |