Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3923931 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL887412 | 0.83 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL18362239 | 0.82 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1TSHRCTRB1MAPT | |
| SCHEMBL11400742 | 0.82 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL16245369 | 0.79 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL25366914 | 0.79 | TACR3 (0.59) | ALDH1A1TSHRCYP1A2CYP3A4CTRB1 | |
| SCHEMBL6942271 | 0.78 | GAA (0.60) | SMN1; SMN2ALDH1A1RAB9AGAALMNA | |
| SCHEMBL5784044 | 0.75 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1CTRB1RAB9ANPC1 | |
| SCHEMBL9848833 | 0.75 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11664515 | 0.75 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1MAPTATMGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686298-A | Enzymatic reduction method for the preparation of compounds useful for preparing taxanes | E. R. SQUIBB & SONS, INC. (US) | 1997-11-11 | — | — | US | claimed |
| US-5420337-A | CHEMICAL INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1995-05-30 | — | — | US | claimed |
| US-5817867-A | Reduction and resolution methods for the preparation of compounds useful as intermediates for preparing taxanes | BRISTOL-MYERS SQUIBB CO. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5686298-A | Enzymatic reduction method for the preparation of compounds useful for preparing taxanes | E. R. SQUIBB & SONS, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5602272-A | Reduction and resolution methods for the preparation of compounds useful as intemediates for preparing taxanes | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-02-11 | — | — | US | disclosed |
| US-5420337-A | CHEMICAL INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1995-05-30 | — | — | US | disclosed |