Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL7203876 | 0.98 | CA4 (0.45) | CA4CES2CES1GABRA1GABRB2 | |
| SCHEMBL254386 | 0.80 | CA12 (0.42) | MEN1KMT2ATSHRCA1CA2 | |
| SCHEMBL11746006 | 0.80 | CA12 (0.42) | MEN1KMT2ATSHRCA1CA2 | |
| SCHEMBL11548379 | 0.80 | CA12 (0.42) | MEN1KMT2ATSHRCA1CA2 | |
| SCHEMBL11548381 | 0.80 | CA12 (0.42) | MEN1KMT2ATSHRCA1CA2 | |
| SCHEMBL2290500 | 0.80 | CA12 (0.42) | MEN1KMT2ATSHRCA1CA2 | |
| SCHEMBL11557023 | 0.76 | ALDH1A1 (0.49) | MAOBALDH1A1POLB | |
| SCHEMBL22806935 | 0.76 | ALDH1A1 (0.49) | MAOBALDH1A1POLB | |
| SCHEMBL31614269 | 0.76 | ALDH1A1 (0.49) | MAOBALDH1A1POLB | |
| SCHEMBL19464089 | 0.76 | CA12 (0.38) | KMT2AALDH1A1TSHRCA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599754-B2 | Semipermeable membrane separating the contents of the first chamber from the contents of the second chamber, wherein said semipermeable membrane is permeable to one or more products of a combinatorial library | UNIVERSITY OF ROCHESTER | 2003-07-29 | — | — | US | disclosed |
| EP-1311345-A1 | BIPHASIC REACTION VESSEL AND METHODS OF USE | University of Rochester (US) | 2003-05-21 | — | — | EP | disclosed |
| US-20020085955-A1 | Biphasic reaction vessel and methods of use | ROCHESTER, UNIVERSITY OF | 2002-07-04 | — | — | US | disclosed |
| WO-2001080998-A1 | BIPHASIC REACTION VESSEL AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2001-11-01 | — | — | WO | disclosed |