Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956224 | 0.90 | CA12 (0.60) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL29953983 | 0.83 | CA12 (0.47) | CA12CA9RECQLKMT2AALDH1A1 | |
| SCHEMBL9738489 | 0.81 | CA12 (0.66) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL9738480 | 0.79 | CA12 (0.63) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL31391062 | 0.79 | CA12 (0.63) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL9462811 | 0.79 | CA12 (0.63) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL635553 | 0.79 | CA12 (0.63) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL13296442 | 0.78 | CYP3A4 (0.65) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL18989501 | 0.78 | CA9 (0.61) | CA12CA9RECQLTSHRCYP1A2 | |
| SCHEMBL3978111 | 0.78 | CA12 (0.61) | CA12CA9RECQLTSHRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009098282-A1 | LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY | NOVASAID AB (SE) | 2009-08-13 | — | — | WO | disclosed |
| EP-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2003006451-A1 | 4-PHENYLPYRAN-2-ONE DERIVATIVES | ALMIRALL PRODESFARMA S.A. (ES) | 2003-01-23 | — | — | WO | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |