Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29383544 | 0.87 | ALDH1A1 (0.39) | GABRA1GABRB2TSHRCYP1A2CYP2D6 | |
| SCHEMBL2468219 | 0.87 | ALDH1A1 (0.39) | GABRA1GABRB2TSHRCYP1A2CYP2D6 | |
| SCHEMBL9314804 | 0.86 | MAPT (0.39) | TSHRMEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL29172406 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL2116718 | 0.81 | PARP1 (0.41) | PARP1TAAR1PRNPGABRA1GABRB2 | |
| SCHEMBL6387817 | 0.81 | PARP1 (0.41) | PARP1TAAR1PRNPGABRA1GABRB2 | |
| SCHEMBL15351875 | 0.79 | PARP1 (0.44) | PARP1TAAR1PRNPGABRA1GABRB2 | |
| SCHEMBL11893015 | 0.79 | GABRA1 (0.56) | PARP1TAAR1PRNPGABRA1GABRB2 | |
| SCHEMBL15351376 | 0.79 | PARP1 (0.39) | PARP1TAAR1PRNPGABRA1GABRB2 | |
| SCHEMBL29375428 | 0.79 | PARP1 (0.54) | PARP1PRNPAHRTSHRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5350752-A | Dihydropyrimidine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1994-09-27 | — | — | US | disclosed |
| EP-0547442-A1 | Dihydropyrimidin derivatives used as A-II receptor antagonists | E.R. SQUIBB & SONS, INC. (US) | 1993-06-23 | — | — | EP | disclosed |
| US-3941822-A | Process for the preparation of methylene-bridged diaryl isocyanates | OLIN CORPORATION (US) | 1976-03-02 | — | — | US | disclosed |