Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9622521 | 1.00 | CYP1A2 (0.46) | CYP1A2MAPTTP53GLAALDH1A1 | |
| SCHEMBL10925570 | 0.82 | RAB9A (0.48) | MAPTALDH1A1ADORA2AKMT2ASMN1; SMN2 | |
| SCHEMBL10925565 | 0.82 | RAB9A (0.48) | MAPTALDH1A1ADORA2AKMT2ASMN1; SMN2 | |
| SCHEMBL10646036 | 0.82 | CYP1A2 (0.54) | CYP1A2MAPTTP53GLAALDH1A1 | |
| SCHEMBL9621914 | 0.82 | CYP1A2 (0.54) | CYP1A2MAPTTP53GLAALDH1A1 | |
| SCHEMBL10866512 | 0.81 | ALDH1A1 (0.46) | CYP1A2MAPTALDH1A1KDM4EADORA2A | |
| SCHEMBL10866514 | 0.81 | ALDH1A1 (0.46) | CYP1A2MAPTALDH1A1KDM4EADORA2A | |
| SCHEMBL10651293 | 0.74 | ADORA2A (0.46) | CYP1A2MAPTALDH1A1KDM4EADORA2A | |
| SCHEMBL9621879 | 0.74 | ADORA2A (0.46) | CYP1A2MAPTALDH1A1KDM4EADORA2A | |
| SCHEMBL10637914 | 0.72 | RAB9A (0.44) | MAPTTP53GLAALDH1A1ADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086177-A | Chemical intermediate for herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |
| US-4980469-A | Reacting isothiourea of nitrogen containing heterocycle with hydroxylamine derivative | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |
| EP-0358018-A2 | Process for the preparation of oxyguanidines | BAYER AG (DE) | 1990-03-14 | — | — | EP | disclosed |