Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347819 | 0.78 | ACHE (0.44) | ACHETDP1DNMT1MLYCDALDH1A1 | |
| SCHEMBL1119058 | 0.78 | ACHE (0.44) | ACHETDP1DNMT1MLYCDTSHR | |
| SCHEMBL2804485 | 0.76 | ACHE (0.42) | ACHETDP1DNMT1ALDH1A1CYP2A6 | |
| SCHEMBL171086 | 0.76 | MAPT (0.58) | ACHETDP1DNMT1ALDH1A1CYP2A6 | |
| P-Xylene SCHEMBL28832784 | 0.75 | ACHE (0.67) | ACHETDP1TSHRALDH1A1CYP2A6 | |
| SCHEMBL25767482 | 0.74 | ACHE (0.40) | ACHETDP1DNMT1MLYCDALDH1A1 | |
| SCHEMBL482749 | 0.71 | — | — | |
| SCHEMBL20861898 | 0.70 | MAPT (0.52) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| SCHEMBL21027662 | 0.70 | MAPT (0.52) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| SCHEMBL21670985 | 0.70 | GRM5 (0.42) | ACHETDP1DNMT1ALDH1A1CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4576753-A | MICROBIOCIDES, ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-18 | — | — | US | disclosed |
| US-4472309-A | ANTIMICROBIAL | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-09-18 | — | — | US | disclosed |
| US-4304718-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-08 | — | — | US | disclosed |
| US-4264498-A | REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-04-28 | — | — | US | disclosed |
| US-4181800-A | ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-01-01 | — | — | US | disclosed |