Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | DRD5 | P21918 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.43 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3710421 | 0.82 | SLC18A3 (0.52) | SIGMAR1BACE1DRD2ALDH1A1TSHR | |
| SCHEMBL28818445 | 0.81 | ESR2 (0.55) | — | |
| SCHEMBL2321634 | 0.80 | TSHR (0.57) | DRD1CA12CA1CA2CA7 | |
| SCHEMBL901209 | 0.80 | TSHR (0.57) | DRD1CA12CA1CA2CA7 | |
| SCHEMBL901207 | 0.80 | TSHR (0.57) | DRD1CA12CA1CA2CA7 | |
| SCHEMBL1305458 | 0.79 | HDAC3 (0.55) | SIGMAR1P2RY14MLYCDUSP2HDAC6 | |
| SCHEMBL4969354 | 0.79 | CA12 (0.48) | SIGMAR1LTA4HMLYCDCA12CA1 | |
| SCHEMBL15976592 | 0.79 | MLYCD (0.48) | SIGMAR1LTA4HMLYCDCA12CA1 | |
| SCHEMBL17366221 | 0.79 | LTA4H (0.46) | SIGMAR1LTA4HMLYCDCA12CA1 | |
| SCHEMBL1306061 | 0.78 | SLC18A3 (0.53) | MLYCDALDH1A1 |
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-1140901-A2 | SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039087-A2 | SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-07-06 | — | — | WO | disclosed |