Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29673296 | 0.69 | CYP1A2 (0.43) | TSHRAPPIDO1MAOBMAOA | |
| SCHEMBL3228582 | 0.68 | APP (0.82) | TSHRAPPIDO1MAOBMAOA | |
| SCHEMBL4951818 | 0.67 | MAOB (0.73) | TSHRIDO1MAOBTAAR1CA12 | |
| SCHEMBL8755 | 0.67 | MAOB (0.73) | TSHRIDO1MAOBTAAR1CA12 | |
| SCHEMBL10687383 | 0.67 | APP (0.58) | TSHRAPPIDO1MAOBMAOA | |
| SCHEMBL728403 | 0.67 | IDO1 (0.56) | TSHRAPPIDO1MAOBTAAR1 | |
| SCHEMBL62037 | 0.65 | IDO1 (0.59) | TSHRAPPIDO1MAOBMAOA | |
| Ammonia Solution, Strong SCHEMBL9173570 | 0.65 | MAOB (0.70) | TSHRIDO1MAOBTAAR1CA12 | |
| Bromide SCHEMBL31513712 | 0.65 | MAOB (0.70) | TSHRIDO1MAOBTAAR1CA12 | |
| SCHEMBL769511 | 0.65 | IDO1 (0.59) | TSHRAPPIDO1MAOBMAOA |
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-5744465-A | Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1998-04-28 | — | — | US | disclosed |