Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6049534 | 0.75 | TDP1 (0.49) | TSHRCYP1A2ALDH1A1MAPTTDP1 | |
| SCHEMBL456197 | 0.74 | MEN1 (0.48) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL942098 | 0.73 | CYP3A4 (0.40) | TSHRCYP3A4CYP1A2ABCB11HTR2A | |
| SCHEMBL30440649 | 0.73 | MEN1 (0.47) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL8306724 | 0.73 | MEN1 (0.47) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL27889242 | 0.73 | MEN1 (0.47) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL11450829 | 0.73 | ACLY (0.40) | TSHRCYP3A4CYP1A2ABCB11HTR2A | |
| SCHEMBL11152774 | 0.72 | CYP3A4 (0.42) | TSHRCYP3A4CYP1A2ABCB11HTR2A | |
| SCHEMBL7260552 | 0.71 | LMNA (0.46) | TSHRCYP3A4CYP1A2ALDH1A1OPRK1 | |
| SCHEMBL12713204 | 0.69 | ALDH1A1 (0.43) | TSHRCYP3A4CYP1A2ABCB11HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334747-A | Reacting substituted malonic acid dialkyl ester with aniline in presence of stoichiometric amount of alkali alcoholate, neutralizing product with acid, saponifying with water | HULS AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |