Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8824009 | 0.79 | MEN1 (0.46) | NQO2MTNR1AMTNR1BTDP1SMN1; SMN2 | |
| SCHEMBL18509788 | 0.79 | GPR35 (0.41) | NQO2MTNR1AMTNR1BCHEK1TDP1 | |
| SCHEMBL8823966 | 0.76 | HTR2A (0.40) | HTR2AHTR2CHTR2BSMN1; SMN2GPR84 | |
| SCHEMBL21378847 | 0.75 | PTPRA (0.55) | HTR2AHTR2CHTR2BMAPTSLC6A4 | |
| SCHEMBL21378848 | 0.75 | PTPRA (0.55) | HTR2AHTR2CHTR2BMAPTSLC6A4 | |
| SCHEMBL18508906 | 0.74 | CDK2 (0.35) | NQO2MTNR1AMTNR1BCHEK1CDK2 | |
| SCHEMBL25001171 | 0.70 | HTR2C (0.51) | NQO2MTNR1AMTNR1BHTR2AHTR2C | |
| SCHEMBL4351496 | 0.70 | NQO2 (0.64) | NQO2HTR2AHTR2CCDK2SMN1; SMN2 | |
| SCHEMBL8824128 | 0.70 | GLA (0.38) | NQO2MTNR1AMTNR1BTDP1CDK1 | |
| SCHEMBL8978632 | 0.70 | HTR2C (0.33) | NQO2MTNR1AMTNR1BHTR2AHTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1063177-C | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL MYERS SQUIBB CO (US) | 2001-03-14 | — | — | CN | disclosed |
| US-5618816-A | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridnyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-08 | — | — | US | disclosed |
| CN-1138042-A | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL MYERS SQUIBB CO (US) | 1996-12-18 | — | — | CN | disclosed |
| EP-0729958-A2 | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinyl-piperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |