Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1821061 | 0.79 | NR1H2 (0.42) | HPGDTSHRCALM1DAONR1H2 | |
| SCHEMBL458788 | 0.75 | BTK (0.36) | HPGDTP53NR1H2NR1H3RAB9A | |
| SCHEMBL23674812 | 0.71 | NR1H2 (0.42) | HPGDTSHRCALM1DAONR1H2 | |
| SCHEMBL3924743 | 0.63 | CALM1 (0.42) | HPGDTSHRCALM1DAONR1H2 | |
| SCHEMBL5076428 | 0.62 | CALM1 (0.41) | HPGDCALM1NR1H2NR1H3RAB9A | |
| SCHEMBL7385670 | 0.62 | GAA (0.44) | TSHRCALM1DAONR1H2NR1H3 | |
| SCHEMBL5031564 | 0.61 | TP53 (0.78) | TP53CALM1RAB9ANPC1POLB | |
| SCHEMBL12877777 | 0.61 | GAA (0.47) | TP53CALM1DAONR1H2NR1H3 | |
| SCHEMBL29271 | 0.61 | CALM1 (0.44) | HPGDTSHRCALM1RAB9ANPC1 | |
| Diphenylmethane SCHEMBL5962570 | 0.60 | CALM1 (0.75) | TSHRTP53CALM1ALDH1A1CYP2C9 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4688381-B2 | — | — | 2011-05-25 | — | — | JP | claimed |
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | claimed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | claimed |
| WO-2000076511-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | claimed |
| WO-2000076514-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | claimed |
| EP-1469849-A4 | TREATING STRESS RESPONSE WITH CHEMOKINE RECEPTOR CCR5 MODULATORS | MERCK & CO INC (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1469849-A1 | TREATING STRESS RESPONSE WITH CHEMOKINE RECEPTOR CCR5 MODULATORS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003061659-A1 | TREATING STRESS RESPONSE WITH CHEMOKINE RECEPTOR CCR5 MODULATORS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000076514-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |