Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22664842 | 0.86 | PNMT (0.46) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL22621380 | 0.86 | PNMT (0.46) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL21125493 | 0.85 | EPHX1 (0.47) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL10799951 | 0.85 | PNMT (0.45) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL18885344 | 0.85 | EPHX1 (0.47) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL22358671 | 0.84 | PNMT (0.47) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL18885429 | 0.84 | PNMT (0.44) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL21129503 | 0.84 | PNMT (0.44) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL21868754 | 0.84 | PNMT (0.44) | SPHK2SPHK1PNMTEPHX1TAS1R3 | |
| SCHEMBL1213321 | 0.83 | PNMT (0.49) | PNMTIDO1TDO2HTR2AHTR2B |
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-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |