Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GPX4 | P36969 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514900 | 0.77 | ALDH1A1 (0.43) | TP53MAPTSMN1; SMN2TSHRKMT2A | |
| SCHEMBL11427097 | 0.70 | HCRTR1 (0.38) | HCRTR1HCRTR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13091077 | 0.69 | MAPT (0.52) | TP53MAPTCYP3A4SMN1; SMN2TSHR | |
| SCHEMBL10604958 | 0.69 | HCRTR1 (0.38) | HCRTR1HCRTR2MAPTCYP2C9CYP2C19 | |
| SCHEMBL17536308 | 0.69 | HCRTR1 (0.38) | HCRTR1HCRTR2TP53MAPTCYP1A2 | |
| SCHEMBL11491984 | 0.69 | HTT (0.46) | TP53MAPTCYP3A4SMN1; SMN2TSHR | |
| SCHEMBL11435413 | 0.69 | RAB9A (0.35) | HCRTR1HCRTR2MAPTCYP1A2CYP2C9 | |
| SCHEMBL13543374 | 0.68 | RAB9A (0.42) | HCRTR1HCRTR2MAPTSMN1; SMN2TSHR | |
| SCHEMBL341786 | 0.67 | ALDH1A1 (0.61) | TP53MAPTSMN1; SMN2TSHRHPGD | |
| SCHEMBL13543371 | 0.66 | RAB9A (0.47) | HCRTR1HCRTR2HPGDKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0410726-B1 | S-SUBSTITUTED BETA-THIOACRYLAMIDES AND THEIR USE AS MICROBICIDES | ROHM AND HAAS COMPANY (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5118681-A | Bactericides | ROHM AND HAAS COMPANY (US) | 1992-06-02 | — | — | US | disclosed |
| EP-0410726-A1 | S-substituted beta-thioacrylamides and their use as microbicides | ROHM AND HAAS COMPANY (US) | 1991-01-30 | — | — | EP | disclosed |