Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902401 | 1.00 | ALDH1A1 (0.40) | ALDH1A1GAAABL1RIN1TDP1 | |
| SCHEMBL7096998 | 0.89 | GAA (0.42) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL7096995 | 0.89 | GAA (0.42) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL7910653 | 0.85 | GAA (0.43) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL7910651 | 0.85 | GAA (0.43) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL22796536 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAKMT2ACYP1A2CYP2C9 | |
| SCHEMBL7594567 | 0.81 | F2 (0.36) | ALDH1A1GAAABL1RIN1TDP1 | |
| SCHEMBL7594570 | 0.81 | F2 (0.36) | ALDH1A1GAAABL1RIN1TDP1 | |
| SCHEMBL18414121 | 0.79 | GAA (0.42) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL7570993 | 0.79 | F2 (0.38) | ALDH1A1GAAABL1RIN1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |