Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.47 |
| ▸ | ADH1B | P00325 | 2/20 | 0.44 |
| ▸ | ADH1C | P00326 | 2/20 | 0.44 |
| ▸ | ADH1A | P07327 | 2/20 | 0.44 |
| ▸ | ADH4 | P08319 | 2/20 | 0.44 |
| ▸ | ADH7 | P40394 | 2/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27262286 | 0.98 | TSHR (0.59) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL19921563 | 0.98 | TSHR (0.59) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL8398870 | 0.96 | ALDH1A1 (0.56) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL19293338 | 0.93 | TSHR (0.52) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL12707478 | 0.93 | TSHR (0.52) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL15378599 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Hydrochloric Acid SCHEMBL21048103 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL19921564 | 0.89 | PAOX (0.47) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| SCHEMBL10874428 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL20495966 | 0.86 | SPHK1 (0.58) | TSHRSPHK1GPR84FFAR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462105-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011016033-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2011-02-10 | — | — | WO | disclosed |