Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MME | P08473 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Urea SCHEMBL5312853 | 0.84 | TSHR (0.60) | TSHRNOTUMCYP2A6MAOAMAOB | |
| Propionamide SCHEMBL28815857 | 0.83 | TSHR (0.48) | TSHRNOTUMCYP2A6MAOAMAOB | |
| Carbamic Acid SCHEMBL2175348 | 0.82 | TSHR (0.57) | TSHRNOTUMCYP2A6MAOAMAOB | |
| Acetamide SCHEMBL5312159 | 0.80 | TSHR (0.55) | TSHRNOTUMCYP2A6MAOAMAOB | |
| Carbamic Acid SCHEMBL9011736 | 0.78 | TSHR (0.65) | TSHRNOTUMCYP2A6MAOAMAOB | |
| Glycine SCHEMBL27454749 | 0.77 | TSHR (0.50) | TSHRNOTUMCYP2A6MAOAMAOB | |
| SCHEMBL16682144 | 0.75 | CYP2A6 (0.46) | TSHRNOTUMCYP2A6MAOASMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL9391015 | 0.74 | TSHR (0.75) | TSHRCYP2A6MAOAMAOBSMN1; SMN2 | |
| Hydrazine SCHEMBL2172540 | 0.74 | TSHR (0.75) | TSHRCYP2A6MAOAMAOB | |
| SCHEMBL9662 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5491141-A | ENZYME INHIBITORS, HYPERTENSIVE AGENTS; TREATING DIURETIC, CONGESTIVE HEART FAILURE, ALDOSTERONISM, RENAL DISEASES, GLAUCOMA | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-02-13 | — | — | US | disclosed |
| US-5420271-A | Analgesics, cardiovascular disorders, diuretics or hypoaldosteronemic agents | MERRELL DOW PHARMACEUTICALS, INC. (US) | 1995-05-30 | — | — | US | disclosed |