Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.39 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.39 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28081996 | 0.75 | KDM4E (0.43) | ALDH1A1KDM4EPOLBSMN1; SMN2PTPN11 | |
| SCHEMBL31148464 | 0.73 | MAPT (0.42) | ALDH1A1KDM4EPOLBSMN1; SMN2PTPN11 | |
| SCHEMBL3835074 | 0.73 | ATF1 (0.48) | ALDH1A1KDM4ECASP1CYP1A2CYP3A4 | |
| SCHEMBL6016398 | 0.72 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2CASP1CYP1A2 | |
| SCHEMBL28171412 | 0.71 | HCAR3 (0.41) | KDM4ESMN1; SMN2HPGDLMNASYK | |
| SCHEMBL9686681 | 0.71 | KDM4E (0.42) | ALDH1A1KDM4EPOLBSMN1; SMN2CASP1 | |
| SCHEMBL4123893 | 0.70 | TACR1 (0.47) | ALDH1A1SMN1; SMN2CASP1CYP1A2CYP3A4 | |
| SCHEMBL4112334 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CASP1CYP1A2CYP3A4HPGD | |
| SCHEMBL11017308 | 0.69 | CASP1 (0.45) | ALDH1A1KDM4ECASP1CYP1A2CYP3A4 | |
| Piperazine SCHEMBL6016563 | 0.69 | TACR1 (0.47) | ALDH1A1SMN1; SMN2CASP1CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799617-A2 | Therapeutic agent for neurological diseases | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-08 | — | — | EP | disclosed |
| US-4959368-A | PYRIMIDINE DERIVATIVES | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) | 1990-09-25 | — | — | US | disclosed |
| EP-0257102-A1 | AGENTS FOR TREATING NEUROPHATHY | Mitsui Chemicals, Inc. (JP) | 1988-03-02 | — | — | EP | disclosed |