Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Phenylthiourea. 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TAS2R38 | P59533 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylthiourea SCHEMBL1387782 | 0.97 | HSD17B10 (0.50) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| Phenylthiourea SCHEMBL4752639 | 0.95 | HSD17B10 (0.48) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| Phenylthiourea SCHEMBL29137480 | 0.82 | NAPRT (0.53) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| Iodide SCHEMBL3529242 | 0.78 | GAA (0.50) | HSD17B10ALDH1A1TSHRCYP3A4GAA | |
| SCHEMBL9701953 | 0.76 | FABP4 (0.47) | HSD17B10ALDH1A1TP53TSHRCYP3A4 | |
| Iodide SCHEMBL3537450 | 0.76 | KMT2A (0.53) | HSD17B10ALDH1A1TP53TSHRSMN1; SMN2 | |
| Benzene SCHEMBL27899223 | 0.76 | HSD17B10 (0.55) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| SCHEMBL20163213 | 0.76 | HSD17B10 (0.55) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| SCHEMBL35172 | 0.76 | HSD17B10 (0.55) | HSD17B10TAS2R38ALDH1A1TP53TSHR | |
| Phenylguanidine SCHEMBL11092906 | 0.75 | ALDH1A1 (0.56) | HSD17B10TAS2R38ALDH1A1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047630-A2 | N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE | TEINTZE MARTIN (US) | 2012-04-12 | — | — | WO | claimed |
| WO-2008089051-A1 | N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-0009362-A1 | Heterocyclic derivatives of guanidine, their preparation and pharmaceutical formulations comprising them | McNeilab, Inc. (US) | 1980-04-02 | — | — | EP | disclosed |