Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL177319 | 0.73 | SPHK1 (0.43) | SPHK1SPHK2THRATHRB | |
| SCHEMBL565825 | 0.73 | S1PR1 (0.49) | — | |
| SCHEMBL15199332 | 0.73 | LPL (0.48) | THRATHRBALDH1A1ESR1ADRA2A | |
| SCHEMBL2724637 | 0.71 | THRA (0.40) | SPHK1SPHK2THRATHRBHAO1 | |
| SCHEMBL19865977 | 0.71 | ESR1 (0.42) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15541365 | 0.71 | S1PR1 (0.43) | SPHK1SPHK2THRATHRBALDH1A1 | |
| SCHEMBL19865982 | 0.70 | HTR2A (0.47) | SPHK1ALDH1A1ESR1ADRA2AADORA3 | |
| SCHEMBL11896093 | 0.70 | HTR2A (0.47) | SPHK1ALDH1A1ESR1ADRA2AADORA3 | |
| SCHEMBL19866153 | 0.70 | ESR1 (0.44) | THRATHRBALDH1A1ESR1ADRA2A | |
| SCHEMBL176976 | 0.69 | EPHX1 (0.44) | SPHK1SPHK2THRATHRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5952316-A | FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |