Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8370127 | 0.77 | LMNA (0.53) | TSHRALDH1A1IDO1KMT2AMAPK1 | |
| SCHEMBL177923 | 0.75 | TSHR (0.67) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL194419 | 0.75 | TSHR (0.52) | TSHRALDH1A1IDO1AGXTL3MBTL1 | |
| SCHEMBL4363419 | 0.73 | TSHR (0.63) | TSHRALDH1A1IDO1AGXTCA1 | |
| Water SCHEMBL28419682 | 0.73 | TSHR (0.63) | TSHRALDH1A1IDO1AGXTCA1 | |
| Bicarbonate SCHEMBL9066694 | 0.72 | ALDH1A1 (0.58) | TSHRALDH1A1IDO1AGXTKMT2A | |
| SCHEMBL876547 | 0.71 | TSHR (0.60) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL14202654 | 0.70 | MAOB (0.53) | TSHRIDO1AGXTKMT2AMAOB | |
| SCHEMBL7534835 | 0.69 | LMNA (0.50) | TSHRALDH1A1KMT2AL3MBTL1SLC6A2 | |
| SCHEMBL26656 | 0.67 | TSHR (0.55) | TSHRALDH1A1IDO1AGXTCA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5206360-A | Bactericides | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-04-27 | — | — | US | disclosed |
| US-5169843-A | Bactericides | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-12-08 | — | — | US | disclosed |
| EP-0484030-A2 | Antibiotic C-3 cyclobutenedione substituted (1-carba)cephalosporin compounds, compositions, and methods of use thereof | Bristol-Myers Squibb Company (US) | 1992-05-06 | — | — | EP | disclosed |
| US-5106842-A | Bactericides | BRISTOL-MYERS SQUIBB CO. (US) | 1992-04-21 | — | — | US | disclosed |