Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | MPO | P05164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8978640 | 0.86 | — | — | |
| SCHEMBL8978715 | 0.82 | — | — | |
| SCHEMBL27456398 | 0.80 | HTR2C (0.34) | HTR2CHTR2AHTR2BKDM4EMEN1 | |
| SCHEMBL8627045 | 0.74 | HTR2C (0.43) | HTR2CHTR2AHTR2BKDM4EMEN1 | |
| SCHEMBL8823966 | 0.72 | HTR2A (0.40) | HTR2CHTR2AHTR2BCYP2D6SLC6A4 | |
| SCHEMBL8978742 | 0.71 | — | — | |
| SCHEMBL8978964 | 0.70 | HTR1A (0.38) | SLC6A4 | |
| SCHEMBL8823947 | 0.70 | NQO2 (0.41) | HTR2CHTR2AHTR2BMEN1KMT2A | |
| SCHEMBL8629802 | 0.61 | HTR1A (0.56) | HTR2CHTR2AHTR2BCYP2D6KMT2A | |
| SCHEMBL16540125 | 0.61 | SLC6A4 (0.67) | HTR2CHTR2AHTR2BSLC6A4GPR84 |
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-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 |