Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL6962305 | 1.00 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| SCHEMBL28351 | 0.97 | — | — | |
| SCHEMBL29366968 | 0.97 | — | — | |
| SCHEMBL14127536 | 0.97 | — | — | |
| Fluoride SCHEMBL28951266 | 0.94 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| Fluoride SCHEMBL28106562 | 0.94 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| Bromide SCHEMBL28907818 | 0.94 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| Iodide SCHEMBL27447914 | 0.94 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| Benzene SCHEMBL9420478 | 0.94 | TSHR (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL27973360 | 0.94 | ALDH1A1 (0.46) | TSHRCYP1A2PNMTCYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153628-A1 | Process for producing polyurethane compositions having low hysteresis | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1985-09-04 | — | — | EP | disclosed |
| US-4507459-A | AROMATIC DIAMINE CHAIN EXTENDER, TIRES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1985-03-26 | — | — | US | disclosed |
| US-3972910-A | Preparation of a chlorinated diisocyanate | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |