Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4628755 | 0.98 | HDAC1 (0.48) | HDAC1ALDH1A1RXFP1CYP1A2EGFR | |
| SCHEMBL21807836 | 0.85 | RXFP1 (0.48) | ALDH1A1RXFP1CYP1A2EGFRPOLB | |
| SCHEMBL22158291 | 0.79 | RXFP1 (0.44) | ALDH1A1RXFP1CYP1A2EGFRPOLB | |
| SCHEMBL9187652 | 0.78 | ALDH1A1 (0.50) | HDAC1ALDH1A1RXFP1CYP1A2EGFR | |
| SCHEMBL12247210 | 0.78 | ALDH1A1 (0.50) | HDAC1ALDH1A1CYP1A2POLBHSD17B10 | |
| SCHEMBL11022909 | 0.78 | HDAC1 (0.49) | HDAC1ALDH1A1CYP1A2POLBKCNJ11 | |
| SCHEMBL5149869 | 0.77 | HDAC1 (0.37) | HDAC1ALDH1A1CYP1A2CA1CA2 | |
| SCHEMBL16240385 | 0.76 | HDAC1 (0.48) | HDAC1ALDH1A1RXFP1CYP1A2EGFR | |
| SCHEMBL3412158 | 0.76 | HDAC1 (0.48) | HDAC1ALDH1A1CYP1A2POLBHSD17B10 | |
| SCHEMBL601500 | 0.76 | HDAC1 (0.72) | HDAC1ALDH1A1CYP1A2HDAC3HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608627-A4 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1608627-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | Merck & Co. Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004082605-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 2004-09-30 | — | — | WO | disclosed |