Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL133924 | 0.89 | AKT1 (0.41) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL133925 | 0.89 | AKT1 (0.41) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL11472193 | 0.87 | TSHR (0.56) | TSHRDAONAPRTSRD5A2CES2 | |
| SCHEMBL11472197 | 0.87 | TSHR (0.56) | TSHRDAONAPRTSRD5A2CES2 | |
| SCHEMBL1931541 | 0.87 | AKT1 (0.40) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL1931543 | 0.87 | AKT1 (0.40) | TSHRDAONAPRTCES2CES1 | |
| Propionic Acid SCHEMBL1525115 | 0.83 | CES2 (0.42) | TSHRCES2CES1AKT1RAB9A | |
| Propionic Acid SCHEMBL1525114 | 0.83 | CES2 (0.42) | TSHRCES2CES1AKT1RAB9A | |
| Trimethylammonium SCHEMBL782850 | 0.81 | ALDH1A1 (0.36) | AKT1CYP2C9NPC1RAB9AALDH1A1 | |
| SCHEMBL6692313 | 0.79 | AKT1 (0.42) | TSHRDAONAPRTCES2CES1 |
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-20050274055-A1 | Color-changing fishing equipment | PURE FISHING, INC. | 2005-12-15 | — | — | US | disclosed |
| EP-0590145-B1 | FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE | TUFTS COLLEGE (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5512490-A | SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS | TRUSTEES OF TUFTS COLLEGE (US) | 1996-04-30 | — | — | US | disclosed |
| US-5244813-A | Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample | TRUSTEES OF TUFTS COLLEGE (US) | 1993-09-14 | — | — | US | disclosed |