Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 8/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9777499 | 0.73 | CYP2A6 (0.56) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL1360297 | 0.71 | ALDH1A1 (0.46) | MAPTALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL22834157 | 0.70 | CYP2A6 (0.68) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL679889 | 0.69 | ALDH1A1 (0.40) | CYP2A6MAPTALDH1A1KMT2AHTT | |
| SCHEMBL6261093 | 0.69 | MAPT (0.52) | CYP2A6MAPTALDH1A1KMT2APSMD14 | |
| SCHEMBL17164837 | 0.68 | CYP2A6 (0.47) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL9465540 | 0.68 | CYP2A6 (0.41) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL31707921 | 0.66 | CYP2A6 (0.49) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL6067937 | 0.66 | CYP2A6 (0.67) | CYP2A6ALOX5MAPTALDH1A1KMT2A | |
| SCHEMBL17626086 | 0.65 | ALDH1A1 (0.44) | MAPTALDH1A1KMT2AL3MBTL1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35754-E | FOR TREATING BACTERIAL INFECTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5710146-A | ANTIBIOTICS FOR BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5089490-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| US-4758556-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-19 | — | — | US | disclosed |
| US-4399131-A | Cephem derivatives | HOECHST AG (DE) | 1983-08-16 | — | — | US | disclosed |
| US-4278793-A | ANTIBIOTICS, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |