Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11148002 | 0.92 | ATM (0.42) | ALDH1A1TSHRCHRM2CHRM1TDP1 | |
| Hydrochloric Acid SCHEMBL11671229 | 0.91 | SCN5A (0.44) | KDM4EALDH1A1TSHRCHRM2CHRM1 | |
| SCHEMBL11671963 | 0.90 | PPARG (0.44) | KDM4EALDH1A1TSHRCHRM2CHRM1 | |
| SCHEMBL11670152 | 0.90 | MTNR1A (0.47) | ALDH1A1HTTLMNAMEN1KMT2A | |
| SCHEMBL11670282 | 0.89 | CNR2 (0.42) | KDM4EALDH1A1TSHRCHRM2CHRM1 | |
| SCHEMBL11702806 | 0.89 | KDM4E (0.40) | KDM4EALDH1A1TSHRCHRM2CHRM1 | |
| SCHEMBL11672433 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TSHRCHRM2CHRM1TDP1 | |
| SCHEMBL11670563 | 0.85 | MAOB (0.41) | ALDH1A1CHRM2CHRM1TDP1HTT | |
| SCHEMBL11671816 | 0.85 | TSHR (0.43) | ALDH1A1TSHRTDP1THRBL3MBTL1 | |
| SCHEMBL11671564 | 0.84 | MAPT (0.42) | ALDH1A1TSHRCHRM2HTTLMNA |
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-4039526-A | PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |
| US-4039539-A | 1,2,4-Triazole-azo-aniline cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |