Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051328 | 0.89 | CYP17A1 (0.36) | PDPK1CYP17A1ABL1BCRFBP1 | |
| SCHEMBL11440352 | 0.83 | ADORA2A (0.41) | PDPK1ABL1BCRFBP1ADRB2 | |
| SCHEMBL13393593 | 0.82 | SRC (0.47) | PDPK1CYP17A1FBP1SRCSYK | |
| SCHEMBL2902222 | 0.79 | F2RL1 (0.40) | PDPK1ABL1BCRFBP1SYK | |
| SCHEMBL7588401 | 0.79 | HSP90AA1 (0.41) | PDPK1CYP17A1FBP1SRCSYK | |
| SCHEMBL5425719 | 0.79 | ROCK1 (0.42) | CYP17A1SRCSYKZAP70F2RL1 | |
| SCHEMBL13380079 | 0.77 | LMNA (0.46) | PDPK1CYP17A1ABL1SRCSYK | |
| SCHEMBL10072597 | 0.77 | GABRA1 (0.45) | ABL1BCRFBP1SRCSYK | |
| SCHEMBL16112355 | 0.76 | MAPT (0.40) | PDPK1ABL1BCRFBP1CYP2A6 | |
| SCHEMBL2653159 | 0.76 | PDPK1 (0.39) | PDPK1ABL1BCRFBP1SYK |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605171-B2 | (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists | MERCK & CO., INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | MERCK & CO., INC. (US) | 2008-10-09 | — | — | US | disclosed |
| CN-1894225-A | (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists | MERCK & CO INC (US) | 2007-01-10 | — | — | CN | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| EP-1140802-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM KG (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035859-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-06-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | S1PR1, S1PR3, S1PR5 | PDPK1 613/4885CYP17A1 1374/4885ABL1 4638/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.