Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719695 | 0.74 | TSHR (0.43) | TSHRMAPK1HDAC6KDM4EHTT | |
| Beta-Pinene SCHEMBL1636093 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| (+)-Beta-Pinene SCHEMBL3506800 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| SCHEMBL685482 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| Beta-Pinene SCHEMBL1532504 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| Beta-Pinene SCHEMBL900792 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| Beta-Pinene SCHEMBL13300 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| SCHEMBL720591 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| SCHEMBL10008216 | 0.73 | TSHR (0.38) | TSHRMAPK1KDM4EHTTTDP1 | |
| Beta-Pinene SCHEMBL12986238 | 0.71 | TSHR (0.36) | TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-H08507789-A | — | — | 1996-08-20 | — | — | JP | claimed |
| EP-0689545-A4 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LAB (US) | 1996-04-24 | — | — | EP | claimed |
| EP-0689545-A1 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021642-A1 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | claimed |