Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7822486 | 0.81 | GPR35 (0.59) | SRD5A1CA12CA1CA2CA7 | |
| SCHEMBL7825655 | 0.78 | SRD5A1 (1.00) | SRD5A1CA12CA1CA2CA7 | |
| SCHEMBL31495194 | 0.77 | SRD5A1 (0.60) | SRD5A1CA12CA1CA2CA7 | |
| SCHEMBL7853319 | 0.75 | SRD5A1 (0.62) | SRD5A1CA12CA1CA2CA7 | |
| SCHEMBL7951064 | 0.72 | SRD5A1 (0.61) | SRD5A1CA12CA1CA9POLB | |
| SCHEMBL15843019 | 0.71 | GPR35 (0.37) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL7062088 | 0.71 | GABRA1 (0.57) | SRD5A1GABRA1GABRB2POLBESR1 | |
| SCHEMBL7059707 | 0.71 | GABRA1 (0.57) | SRD5A1GABRA1GABRB2POLBESR1 | |
| SCHEMBL27957721 | 0.69 | GABRA1 (0.55) | SRD5A1GABRA1GABRB2POLBESR1 | |
| SCHEMBL1420694 | 0.69 | GABRA1 (0.64) | SRD5A1GABRA1GABRB2POLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |