Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP12 | P39900 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508653 | 0.80 | TSHR (0.67) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL3218837 | 0.76 | TRPA1 (0.35) | TSHRALDH1A1SMN1; SMN2IDO1MAOB | |
| SCHEMBL22764713 | 0.76 | TSHR (0.54) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL13259140 | 0.73 | TSHR (0.56) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL7772144 | 0.73 | TSHR (0.56) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL3682764 | 0.73 | TSHR (0.56) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL7072171 | 0.72 | TSHR (0.54) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL22766620 | 0.72 | TSHR (0.54) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL3268152 | 0.72 | ALDH1A1 (0.57) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 | |
| SCHEMBL19359277 | 0.72 | MMP2 (0.61) | TSHRLMNAALDH1A1SMN1; SMN2MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5506355-A | REACTING DIAMINE HAVING DIOL PROTECTED WITH CYCLIC ACETAL GROUP IN SOLVENT WITH HINDERED AMINE BASE AND SULFONYL GROUP PRECURSOR, ALKYLATING IN PRESENCE OF BASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-09 | — | — | US | disclosed |