Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Thiourea. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL9059589 | 1.00 | SCN9A (0.44) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9060364 | 0.92 | SCN9A (0.47) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9060369 | 0.92 | SCN9A (0.47) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| SCHEMBL9059429 | 0.91 | SCN9A (0.48) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| SCHEMBL9059428 | 0.91 | SCN9A (0.48) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9424394 | 0.82 | SCN9A (0.47) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| SCHEMBL9059303 | 0.79 | SCN9A (0.48) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9060574 | 0.77 | SCN9A (0.44) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9060578 | 0.77 | SCN9A (0.44) | SCN9AMEN1KMT2AHPGDALDH1A1 | |
| Iodide SCHEMBL9423861 | 0.75 | ALDH1A1 (0.52) | MEN1KMT2AHPGDALDH1A1SMN1; SMN2 |
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-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |