Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 8/20 | 0.35 |
| ▸ | MAOA | P21397 | 5/20 | 0.35 |
| ▸ | ALPI | P09923 | 3/20 | 0.35 |
| ▸ | ALPL | P05186 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7822789 | 0.89 | HSD17B3 (0.38) | HSD17B3MAOBMAOAALPIALPL | |
| SCHEMBL7814954 | 0.83 | ALDH1A1 (0.43) | MAPTKDM4EALDH1A1GAAHPGD | |
| SCHEMBL7815178 | 0.83 | HSD17B3 (0.36) | HSD17B3MAOBMAOAALPIALPL | |
| SCHEMBL7814957 | 0.82 | HSD17B3 (0.34) | HSD17B3MAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL7822244 | 0.80 | MCL1 (0.32) | MAPTKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL7483011 | 0.78 | MAOA (0.43) | MAOBMAOAMAPTKDM4EMEN1 | |
| SCHEMBL7489217 | 0.77 | HSD17B3 (0.38) | HSD17B3MAOBMAOAALPIALPL | |
| SCHEMBL7822820 | 0.73 | ALDH1A1 (0.42) | MAPTKDM4EMEN1ALDH1A1GAA | |
| SCHEMBL7822480 | 0.71 | TSHR (0.34) | MAPTKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL7823020 | 0.71 | HSD17B3 (0.34) | HSD17B3MAPTKDM4EALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133498-A2 | AMINO-AND MERCURIO-SUBSTITUTED 4', 5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 2001-09-19 | — | — | EP | claimed |
| US-6255324-B1 | MICROBIOCIDES; SKIN DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2001-07-03 | — | — | US | claimed |
| WO-2000031081-A2 | AMINO- AND MERCURIO-SUBSTITUTED 4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 2000-06-02 | — | — | WO | claimed |
| EP-1133498-A2 | AMINO-AND MERCURIO-SUBSTITUTED 4', 5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 2001-09-19 | — | — | EP | disclosed |
| US-6255324-B1 | MICROBIOCIDES; SKIN DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2001-07-03 | — | — | US | disclosed |
| WO-2000031081-A2 | AMINO- AND MERCURIO-SUBSTITUTED 4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 2000-06-02 | — | — | WO | disclosed |