Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 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 | 0.84 | HSD17B10 (0.50) | NAPRTHSD17B10NPC1RAB9AKMT2A | |
| Phenylthiourea SCHEMBL4752639 | 0.82 | HSD17B10 (0.48) | NAPRTHSD17B10NPC1RAB9AKMT2A | |
| Phenylthiourea SCHEMBL1286887 | 0.82 | HSD17B10 (0.48) | NAPRTHSD17B10NPC1RAB9AKMT2A | |
| Acetic Acid SCHEMBL30876192 | 0.74 | NAPRT (0.64) | NAPRTHSD17B10MAPTNPC1RAB9A | |
| SCHEMBL11353368 | 0.73 | EPHX2 (0.61) | NAPRTHSD17B10MAPTNPC1RAB9A | |
| Acetic Acid SCHEMBL9470145 | 0.73 | GAA (0.72) | NAPRTHSD17B10MAPTNPC1RAB9A | |
| SCHEMBL18739883 | 0.73 | MAPT (0.56) | MAPTNPC1RAB9ATAAR1KMT2A | |
| Phenylguanidine SCHEMBL11154590 | 0.71 | HSD17B10 (0.59) | NAPRTHSD17B10MAPTNPC1RAB9A | |
| SCHEMBL3073181 | 0.71 | EPHX1 (0.52) | NAPRTHSD17B10MAPTNPC1RAB9A | |
| SCHEMBL19669626 | 0.71 | NAPRT (1.00) | NAPRTHSD17B10MAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117138946-A | Method for preparing rutile from high-titanium blast furnace slag | 广东粤桥新材料科技有限公司 | 2023-12-01 | — | — | CN | claimed |