Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.87 |
| ▸ | TSHR | P16473 | 2/20 | 0.87 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6053390 | 1.00 | CYP3A4 (0.87) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL1396496 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL19943 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL12852256 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL2044965 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL30634516 | 0.91 | CYP3A4 (0.95) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| Ammonia Solution, Strong SCHEMBL3504367 | 0.91 | CYP3A4 (0.95) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| Water SCHEMBL8522858 | 0.91 | CYP3A4 (0.95) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| Diphenylmethane SCHEMBL28882075 | 0.90 | CYP3A4 (0.70) | CYP3A4TSHRCYP1A2TDP1MAPK1 | |
| SCHEMBL8863187 | 0.89 | CYP3A4 (0.69) | CYP3A4TSHRCYP1A2TDP1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5219662-A | Vascular grafts, artificial hearts | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-15 | — | — | US | claimed |
| US-7745659-B2 | Process for the production of liquid, storage-stable organic isocyanates with a low colour index having carbodiimide- and/or uretone imine groups | BAYER MATERIALSCIENCE AG (DE) | 2010-06-29 | — | — | US | disclosed |
| US-20060128928-A1 | Process for the production of liquid, storage-stable organic isocyanates with a low colour index having carbodiimide- and/or uretone imine groups | BAYER MATERIALSCIENCE AG | 2006-06-15 | — | — | US | disclosed |
| US-4940047-A | POLYURETHANES, ORTHOPEDIC DRESSING | BAYER AKTIENGESELLSCHAFT (DE) | 1990-07-10 | — | — | US | disclosed |