Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL820880 | 0.86 | — | — | |
| SCHEMBL31655454 | 0.84 | TSHR (0.57) | TSHRIDO1LMNATDP1MAPK1 | |
| SCHEMBL12509541 | 0.81 | — | — | |
| SCHEMBL12509540 | 0.78 | — | — | |
| SCHEMBL11798517 | 0.75 | TSHR (0.43) | TSHRLTA4HMAPK14IDO1LMNA | |
| Pyridine SCHEMBL4372448 | 0.75 | ALDH1A1 (0.79) | POLBLMNAKMT2ATDP1MAPK1 | |
| Pyridine SCHEMBL5787948 | 0.75 | RAB9A (0.59) | F2LMNAKMT2AMAPK1ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL2179529 | 0.75 | TDP1 (0.45) | TSHRLTA4HPOLBLMNAKMT2A | |
| Formic Acid SCHEMBL3418146 | 0.74 | ALDH1A1 (0.50) | TSHRIDO1LMNAKMT2ATDP1 | |
| Acetic Acid SCHEMBL7053200 | 0.74 | ALDH1A1 (0.61) | TSHRLMNAKMT2ATDP1MAPK1 |
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-5112968-A | Monobactam hydrazide derivatives | E. R. SQUIBB & SONS, INC. (US) | 1992-05-12 | — | — | US | disclosed |
| EP-0336369-A1 | 3-Acylamino-1-[[[(substituted sulfonyl)amino]carbonyl]amino]2-azetidinones | E.R. Squibb & Sons, Inc. (US) | 1989-10-11 | — | — | EP | disclosed |