Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | ACP3 | P15309 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2601112 | 0.86 | ALDH1A1 (0.60) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL19334711 | 0.86 | ALDH1A1 (0.60) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL15504707 | 0.86 | ALDH1A1 (0.61) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL17073457 | 0.86 | ALDH1A1 (0.61) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL15504651 | 0.86 | ALDH1A1 (0.61) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL254876 | 0.85 | TSHR (0.61) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL27864585 | 0.84 | ALDH1A1 (0.62) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL9026172 | 0.83 | TSHR (0.59) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL2540712 | 0.81 | TSHR (0.57) | TSHRLMNAL3MBTL1MEN1HPGD | |
| SCHEMBL2545597 | 0.81 | MEN1 (0.61) | TSHRLMNAL3MBTL1MEN1HPGD |
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-4761498-A | Diisocyanates and diisocyanate mixtures based on diphenylmethane, processes for their production and their use as isocyanate component in the production of polyurethane plastics by the isocyanate polyaddition process | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |