Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10770832 | 0.84 | TSHR (0.44) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL27663423 | 0.81 | TSHR (0.50) | TSHRTDP1MAPTCYP3A4ALDH1A1 | |
| SCHEMBL7583219 | 0.81 | CYP3A4 (0.38) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL7581070 | 0.81 | CYP3A4 (0.38) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL4888783 | 0.80 | TDP1 (0.38) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL5443565 | 0.79 | TSHR (0.38) | TSHRTDP1MAPTCYP3A4ALDH1A1 | |
| SCHEMBL5443562 | 0.79 | TSHR (0.38) | TSHRTDP1MAPTCYP3A4ALDH1A1 | |
| SCHEMBL873314 | 0.78 | TSHR (0.46) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL14331822 | 0.78 | TSHR (0.46) | TSHRTDP1MAPTCACNA1BAPBA1 | |
| SCHEMBL464886 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| US-6107522-A | Process for the preparation of cyclopropylamine | DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) | 2000-08-22 | — | — | US | disclosed |