Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20495186 | 0.88 | KDM4E (0.43) | TSHRCHRM1KDM4EALDH1A1LMNA | |
| SCHEMBL38661086 | 0.88 | IDO1 (0.59) | IDO1ALDH1A1APEX1MAOAMAOB | |
| SCHEMBL7348235 | 0.81 | MAPT (0.53) | CHRM1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL3100859 | 0.81 | RAB9A (0.52) | CHRM1KDM4EALDH1A1HSD17B10TDP1 | |
| SCHEMBL38661019 | 0.81 | RAB9A (0.56) | TSHRCHRM1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL12596884 | 0.81 | CHRM1 (0.44) | TSHRCHRM1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11780147 | 0.81 | RAB9A (0.56) | TSHRCHRM1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7407472 | 0.81 | EGLN1 (0.48) | CHRM1IDO1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3372786 | 0.81 | MAOB (0.46) | CHRM1IDO1KDM4EMAOBPRKAG1 | |
| SCHEMBL5774011 | 0.80 | TDP1 (0.51) | TSHRIDO1KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0254545-B1 | DIAMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-06 | — | — | EP | disclosed |
| EP-0254545-A2 | Diamine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-27 | — | — | EP | disclosed |