Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1990181 | 0.83 | ALDH1A1 (0.50) | CYP19A1ALDH1A1MAOBKDM4EMEN1 | |
| SCHEMBL2171422 | 0.75 | CYP19A1 (0.46) | CYP19A1ALDH1A1MAOBTSHRKMT2A | |
| SCHEMBL25082599 | 0.75 | MAOB (0.53) | CYP19A1ALDH1A1MAOBKDM4ECYP1A2 | |
| SCHEMBL13278414 | 0.75 | CYP19A1 (0.46) | CYP19A1ALDH1A1MAOBKDM4ESIGMAR1 | |
| SCHEMBL4243033 | 0.75 | ALDH1A1 (0.48) | CYP19A1ALDH1A1TSHRKDM4EMEN1 | |
| SCHEMBL28902155 | 0.75 | TSHR (0.52) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28477161 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRGRM1BLMPMP22 | |
| SCHEMBL28473689 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL6094986 | 0.73 | ALDH1A1 (0.49) | ALDH1A1TSHRGRM1BLMPMP22 | |
| SCHEMBL28482576 | 0.72 | ALDH1A1 (0.48) | ALDH1A1MAOBTSHRGRM1BLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998055475-A1 | GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-10 | — | — | WO | disclosed |