Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3764804 | 0.76 | GABRA1 (0.33) | GABRA1GABRB2KDM4EHTTMAPT | |
| SCHEMBL22160031 | 0.71 | ALDH1A1 (0.43) | KDM4ECYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28085016 | 0.70 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL28085018 | 0.70 | — | — | |
| Water SCHEMBL19305901 | 0.70 | KDM4E (0.32) | KDM4EALDH1A1 | |
| SCHEMBL27517636 | 0.69 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL1133136 | 0.68 | GABRA1 (0.34) | GABRA1GABRB2ALDH1A1HSD17B10 | |
| SCHEMBL17230351 | 0.68 | HSD17B10 (0.51) | KDM4ECYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6880786 | 0.66 | ALDH1A1 (0.45) | KDM4ECYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11819501 | 0.66 | GABRA1 (0.33) | GABRA1GABRB2KDM4EHTTMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0432988-B1 | Hydrocarbylphenyl diaminodithiol derivatives | AMERSHAM INT PLC (GB) | 1994-02-16 | — | — | EP | disclosed |
| US-5080884-A | Hydrocarbylphenyl diaminodithiol radionuclide complexes and their use in imaging | MEDI-PHYSICS, INC. (US) | 1992-01-14 | — | — | US | disclosed |
| US-5026913-A | For imaging organs | MEDI-PHYSICS, INC. (US) | 1991-06-25 | — | — | US | disclosed |
| EP-0432988-A1 | Hydrocarbylphenyl diaminodithiol derivatives | AMERSHAM INTERNATIONAL plc (GB) | 1991-06-19 | — | — | EP | disclosed |