Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19520419 | 0.84 | HTT (0.54) | ALDH1A1SMN1; SMN2TSHRPKMADAMTS5 | |
| SCHEMBL10012854 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1HPGDSMN1; SMN2TSHRADAMTS5 | |
| SCHEMBL14112929 | 0.77 | PKM (0.45) | ALDH1A1HPGDSMN1; SMN2PKMTDP1 | |
| SCHEMBL11380910 | 0.77 | TSHR (0.38) | ALDH1A1HPGDSMN1; SMN2ALOX12TSHR | |
| SCHEMBL11378238 | 0.76 | TSHR (0.42) | ALDH1A1HPGDSMN1; SMN2TSHRKDM4E | |
| SCHEMBL13401045 | 0.75 | TSHR (0.78) | ALDH1A1HPGDTSHRTDP1KDM4E | |
| SCHEMBL10480361 | 0.75 | NPC1 (0.54) | ALDH1A1 | |
| SCHEMBL5657269 | 0.74 | TSHR (0.36) | TSHRTDP1L3MBTL1 | |
| SCHEMBL11381038 | 0.74 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2TSHRTDP1L3MBTL1 | |
| SCHEMBL10480375 | 0.74 | NPC1 (0.56) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4271308-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1981-06-02 | — | — | US | disclosed |
| US-4120864-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1978-10-17 | — | — | US | disclosed |