Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8295468 | 0.94 | HPGD (0.43) | TSHRTP53ALDH1A1BRD9HPGD | |
| SCHEMBL609322 | 0.83 | ALDH1A1 (0.56) | TP53ALDH1A1BRD9HPGDSMN1; SMN2 | |
| SCHEMBL4461794 | 0.81 | AKR1C3 (0.55) | TSHRTP53ALDH1A1BRD9HPGD | |
| SCHEMBL29930151 | 0.78 | ALDH1A1 (0.62) | TSHRTP53ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL171739 | 0.78 | ALDH1A1 (0.62) | TSHRTP53ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8267065 | 0.75 | BRD4 (0.44) | TSHRALDH1A1BRD9HPGDLMNA | |
| SCHEMBL8296012 | 0.73 | TSHR (0.42) | TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11933635 | 0.73 | ALDH1A1 (0.53) | TP53ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL19302980 | 0.72 | AKR1C3 (0.64) | TP53HPGDSMN1; SMN2LMNAPKM | |
| SCHEMBL8296020 | 0.72 | SIGMAR1 (0.52) | TSHRLMNADRD2DRD3RAB9A |
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-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |
| US-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |
| WO-2004108892-A2 | 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-16 | — | — | WO | disclosed |