Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8575765 | 0.86 | GAA (0.47) | KMT2AALDH1A1NPC1RAB9APOLB | |
| SCHEMBL8669334 | 0.79 | KMT2A (0.37) | KMT2AALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL13401632 | 0.71 | KMT2A (1.00) | KMT2AALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL11544351 | 0.70 | TDP1 (0.39) | KMT2AALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL29352673 | 0.68 | CYP1A2 (0.73) | KMT2AALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL8887013 | 0.68 | CYP1A2 (0.73) | KMT2AALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL7624765 | 0.68 | ALDH1A1 (0.30) | ALDH1A1SMN1; SMN2HPGDTP53TSHR | |
| SCHEMBL54175 | 0.68 | CYP1A2 (0.73) | KMT2AALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL11668426 | 0.68 | PDK1 (0.54) | KMT2AALDH1A1SMN1; SMN2TP53TSHR | |
| SCHEMBL13819917 | 0.67 | KMT2A (0.43) | KMT2AALDH1A1SMN1; SMN2TDP1APEX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996019464-A1 | 5-SUBSTITUTED-2-(THIOCYANATOMETHYLTHIO)-1,3,4-OXADIAZOLES USEFUL AS ANTIMICROBIALS AND ANTIFOULANTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-27 | — | — | WO | disclosed |
| US-4143043-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4094880-A | BACTERICIDES AND FUNGICIDES | THE DOW CHEMICAL COMPANY (US) | 1978-06-13 | — | — | US | disclosed |