Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4389691 | 0.86 | CYP3A4 (0.42) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL27887504 | 0.77 | CYP3A4 (0.48) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL1899787 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL11309807 | 0.73 | SRC (0.50) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL3807825 | 0.73 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL8655948 | 0.72 | LMNA (0.45) | CYP3A4TSHR | |
| SCHEMBL3010736 | 0.71 | SRC (0.39) | TSHRHSD17B10 | |
| SCHEMBL9416947 | 0.71 | SRC (0.46) | TSHRHSD17B10 | |
| SCHEMBL739866 | 0.71 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL484003 | 0.71 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0524518-A2 | Urea extended polyisocyanates | MILES INC. (US) | 1993-01-27 | — | — | EP | disclosed |
| US-5128407-A | Polybiuret | MILES INC. (US) | 1992-07-07 | — | — | US | disclosed |
| US-RE30676-E | POLYETHERPOLYOL OR POLYESTERPOLYOL, AMINE | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1981-07-14 | — | — | US | disclosed |
| US-4113667-A | SPECIFIC AMINES | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1978-09-12 | — | — | US | disclosed |
| US-4088614-A | POLYETHERPOLYOL, POLYESTERPOLYOL, POLYISOCYANATE, WATER, FOAMING AGENT, EMULSIFYING AGENT | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JA) | 1978-05-09 | — | — | US | disclosed |
| US-3996223-A | Process for the production of polyisocyanates of isocyanurate structure | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |