Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647822 | 0.83 | PGR (0.49) | BCAT2GRM5RAB9A | |
| SCHEMBL11065200 | 0.74 | OPRM1 (0.37) | TSHRMAPTBCAT2 | |
| SCHEMBL1135309 | 0.69 | P2RY1 (0.64) | — | |
| SCHEMBL27943418 | 0.69 | MAPT (0.67) | TSHRL3MBTL1LMNAADRA2CGAA | |
| SCHEMBL14859165 | 0.68 | ALDH1A1 (0.51) | TSHRMAPTSIRT1RAB9A | |
| SCHEMBL5713553 | 0.67 | NPC1 (0.62) | TSHRL3MBTL1GAAPOLBRAB9A | |
| SCHEMBL18415528 | 0.67 | ADRA2C (0.68) | TSHRL3MBTL1LMNAADRA2CGAA | |
| SCHEMBL10784048 | 0.67 | ADRA2C (0.68) | TSHRL3MBTL1LMNAADRA2CGAA | |
| SCHEMBL2394597 | 0.66 | CCNA2 (0.35) | TSHRL3MBTL1TDP1MAPTMAPK1 | |
| SCHEMBL8010508 | 0.66 | ADRA2C (0.61) | TSHRL3MBTL1LMNAADRA2CGAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0123861-B1 | UREUM DERIVATIVES | BAYER AG (DE) | 1988-04-20 | — | — | EP | claimed |
| US-4552900-A | INSECTIDIDES, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | claimed |
| EP-3205647-B1 | 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2020-05-13 | — | — | EP | disclosed |
| EP-2467142-B1 | 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders | SLOAN KETTERING INST CANCER (US) | 2016-09-21 | — | — | EP | disclosed |
| US-4552900-A | INSECTIDIDES, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |
| US-4552900-A | INSECTIDIDES, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |
| US-4552900-A | INSECTIDIDES, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |