Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20841977 | 0.83 | TSHR (0.59) | TSHRMAOBMAOACYP19A1GABRA1 | |
| SCHEMBL29455304 | 0.81 | TSHR (0.56) | TSHRMAOBMAOACYP19A1GABRA1 | |
| SCHEMBL8987952 | 0.75 | SMN1; SMN2 (0.34) | MAOBMAOA | |
| Pyridine SCHEMBL2376942 | 0.75 | ALDH1A1 (0.35) | ALDH1A1 | |
| Pyridine SCHEMBL7214643 | 0.75 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL6238003 | 0.73 | HDAC8 (0.67) | TSHRMAOBMAOAGABRA1GABRG2 | |
| SCHEMBL2399806 | 0.73 | CA2 (0.50) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Isonicotinonitrile SCHEMBL1135040 | 0.71 | TSHR (0.33) | TSHRALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL21096082 | 0.71 | CYP1A2 (0.52) | TSHRMAOBMAOAGABRA1GABRG2 | |
| Benzonitrile SCHEMBL6640 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5541000-A | Latent, thermal cure accelerators for epoxy-aromatic amine resins having lowered peak exotherms | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0719293-A1 | LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995005411-A2 | LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-02-23 | — | — | WO | disclosed |