Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 12/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11271928 | 0.98 | PTPN1 (0.54) | PTPN1KDM4EHTTKMT2AGLA | |
| SCHEMBL4576015 | 0.86 | MAOB (0.61) | PTPN1KDM4EHTTKMT2AGLA | |
| SCHEMBL11258853 | 0.81 | MAOB (0.61) | KDM4EKMT2AMAOBMEN1MAOA | |
| SCHEMBL11262569 | 0.81 | PTPN1 (0.55) | PTPN1HTTMAOBMAOAALDH1A1 | |
| SCHEMBL11260734 | 0.78 | MAOB (0.64) | KDM4EKMT2AMAOBMEN1MAOA | |
| SCHEMBL6614160 | 0.77 | KDM4E (0.52) | PTPN1KDM4EHTTKMT2AMAOB | |
| SCHEMBL11253212 | 0.77 | MAOB (0.72) | MAOBMAOA | |
| SCHEMBL29933483 | 0.77 | KDM4E (0.52) | PTPN1KDM4EHTTKMT2AMAOB | |
| SCHEMBL28990316 | 0.76 | PTPN1 (0.65) | PTPN1KDM4EHTTKMT2AGLA | |
| Hydrochloric Acid SCHEMBL11256800 | 0.76 | MAOB (0.70) | MAOBMAOA |
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-4320133-A | Penicillins and their antibacterial use | SANDOZ LTD. (CH) | 1982-03-16 | — | — | US | disclosed |
| EP-0003115-A1 | Penicillins, per se and for use as antibacterially active antibiotics and their production | SANDOZ AG (CH) | 1979-07-25 | — | — | EP | disclosed |