Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7133838 | 0.82 | HTR2A (0.57) | ESR1ESR2HTR2AHTR2CDRD2 | |
| SCHEMBL6826115 | 0.80 | TUBB4A (0.57) | ESR1ESR2HTR2AHTR2CTUBB4A | |
| SCHEMBL11790794 | 0.80 | MAPT (0.53) | ESR1ESR2HTR2AHTR2CALDH1A1 | |
| SCHEMBL3555901 | 0.80 | HTR2A (0.58) | ESR1ESR2HTR2AHTR2CDRD2 | |
| SCHEMBL7133837 | 0.78 | ESR1 (0.45) | ESR1ESR2HTR2AHTR2CDRD2 | |
| SCHEMBL27325245 | 0.77 | GABRP (0.46) | TUBB3ALDH1A1GABRPGABRDGABRA1 | |
| SCHEMBL10774806 | 0.76 | KDM4E (0.52) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28461532 | 0.75 | ESR1 (0.53) | ESR1ESR2HTR2AHTR2CTUBB4A | |
| SCHEMBL2348532 | 0.74 | ALDH1A1 (0.48) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL6995871 | 0.73 | TUBB4A (0.53) | ESR1ESR2TUBB4ATUBBTUBA3C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2670244-A2 | BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT | Duquesne University of The Holy Spirit (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2012106522-A2 | BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2012-08-09 | — | — | WO | disclosed |